Category: chiral-nitrogen-ligands

So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.McFadden, T. M. C.; Platakyte, R.; Stocka, J.; Ceponkus, J.; Aleksa, V.; Carrigan-Broda, T.; Sablinskas, V.; Rodziewicz, P.; Guirgis, G. A. researched the compound: 1,5-Dibromopentane( cas:111-24-0 ).HPLC of Formula: 111-24-0.They published the article 《Experimental (Raman and IR) and computational (DFT, MP2) studies of conformational diversity of 1-chloromethyl-1-fluorosilacyclohexane》 about this compound( cas:111-24-0 ) in Journal of Molecular Structure. Keywords: chloromethyl fluorosilacyclohexane conformation. We’ll tell you more about this compound (cas:111-24-0).

Since 1-chloromethyl-1-fluorosilacyclohexane is a newly synthesized mol. compound its structural parameters and conformational stability is unknown. Raman and IR vibrational spectroscopy methods were employed for anal. of this mol. IR spectra were recorded for both gas phase and liquid sample, whereas the Raman experiments were performed in the liquid state. Addnl., low temperature matrix isolation IR spectra were recorded after isolating the mol. in argon and nitrogen matrixes. For the assignment of the exptl. spectral bands, theor. DFT/B3LYP/aug-cc-pVDZ and MP2/aug-cc-pVDZ calculations were performed. From the calculations it was found that 1-chloromethyl-1-fluorosilacyclohexane may exist in twelve different conformational forms out of which the chair axial trans conformer is the most stable form. However, there are three more chair type conformers – equatorial trans, equatorial gauche and axial gauche that are stable enough to be observed in the exptl. spectra.

After consulting a lot of data, we found that this compound(111-24-0)HPLC of Formula: 111-24-0 can be used in many types of reactions. And in most cases, this compound has more advantages.

Reference:
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

Arakawa, Yuki; Komatsu, Kenta; Ishida, Yuko; Tsuji, Hideto published the article 《Thioether-linked azobenzene-based liquid crystal dimers exhibiting the twist-bend nematic phase over a wide temperature range》. Keywords: thioether azobenzene liquid crystal dimer preparation; twist bend nematic phase.They researched the compound: 1,5-Dibromopentane( cas:111-24-0 ).Name: 1,5-Dibromopentane. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:111-24-0) here.

Two homologous series of sulfur-containing thioether-linked 4-cyanoazobenzene-based liquid crystal (LC) dimers were developed: a sym. series based on 4-cyanoazobenzene arms [(CN)AzoSnSAzo(CN)] and a non-sym. series based on 4-cyanoazobenzene and 4-cyanobiphenyl arms [(CN)AzoSnSCB]. They contained different flexible oligomethylene spacers (CnH2n) consisting of odd numbers of carbon atoms (n = 3, 5, 7, 9, and 11). The sym. (CN)AzoSnSAzo(CN) dimers with n = 5, 7, 9, and 11 showed an elusive monotropic twist-bend nematic (NTB) phase, while all the non-sym. (CN)AzoSnSCB dimers exhibited the NTB phase. Notably, the NTB phase observed for non-sym. (CN)AzoS7SCB could be supercooled to room temperature, leading to a glassy NTB phase. (CN)AzoS9SCB showed a similar tendency accompanied by partial crystallization These are the first reported examples of azobenzene-based LC dimers exhibiting a broad temperature range of NTB phases supercooled to room temperature Such prominent stability of the NTB phase is due to the supercooling effect assisted by the synergy of mol. bend arising from thioether linkages and non-sym. mesogenic arms. The phase-transition temperatures were overall higher for sym. (CN)AzoSnSAzo(CN) than for non-sym. (CN)AzoSnSCB. The difference in the mesogenic arm structures hardly influenced their mol. geometry or anisotropy in terms of entropy changes.

After consulting a lot of data, we found that this compound(111-24-0)Name: 1,5-Dibromopentane can be used in many types of reactions. And in most cases, this compound has more advantages.

Reference:
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

Recommanded Product: 20198-19-0. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 2-Aminoquinazolin-4(3H)-one, is researched, Molecular C8H7N3O, CAS is 20198-19-0, about Hot Spot Analysis for Driving the Development of Hits into Leads in Fragment-Based Drug Discovery. Author is Hall, David R.; Ngan, Chi Ho; Zerbe, Brandon S.; Kozakov, Dima; Vajda, Sandor.

Fragment-based drug design (FBDD) starts with finding fragment-sized compounds that are highly ligand efficient and can serve as a core moiety for developing high-affinity leads. Although the core-bound structure of a protein facilitates the construction of leads, effective design is far from straightforward. We show that protein mapping, a computational method developed to find binding hot spots and implemented as the FTMap server, provides information that complements the fragment screening results and can drive the evolution of core fragments into larger leads with a minimal loss or, in some cases, even a gain in ligand efficiency. The method places small mol. probes, the size of organic solvents, on a dense grid around the protein and identifies the hot spots as consensus clusters formed by clusters of several probes. The hot spots are ranked based on the number of probe clusters, which predicts the binding propensity of the subsites and hence their importance for drug design. Accordingly, with a single exception the main hot spot identified by FTMap binds the core compound found by fragment screening. The most useful information is provided by the neighboring secondary hot spots, indicating the regions where the core can be extended to increase its affinity. To quantify this information, we calculate the d. of probes from mapping, which describes the binding propensity at each point, and show that the change in the correlation between a ligand position and the probe d. upon extending or repositioning the core moiety predicts the expected change in ligand efficiency.

After consulting a lot of data, we found that this compound(20198-19-0)Recommanded Product: 20198-19-0 can be used in many types of reactions. And in most cases, this compound has more advantages.

Reference:
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Microwave-assisted synthesis of quinazolinone derivatives by efficient and rapid iron-catalyzed cyclization in water, published in 2009-11-30, which mentions a compound: 20198-19-0, Name is 2-Aminoquinazolin-4(3H)-one, Molecular C8H7N3O, Name: 2-Aminoquinazolin-4(3H)-one.

A green, rapid, and efficient method was developed for synthesizing quinazolinone derivatives, e.g., I from substituted 2-halobenzoic acids and amidines via microwave-assisted iron-catalyzed cyclization with or without ligand in water or DMF. With these methods, moderate to high yields of the desired products can be obtained from even inactive substrates, such as guanidines. This is the first report on the synthesis of N-heterocyclic compounds by iron-catalyzed C-N coupling in aqueous media.

After consulting a lot of data, we found that this compound(20198-19-0)Name: 2-Aminoquinazolin-4(3H)-one can be used in many types of reactions. And in most cases, this compound has more advantages.

Reference:
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

Recommanded Product: 3411-48-1. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: Tri(naphthalen-1-yl)phosphine, is researched, Molecular C30H21P, CAS is 3411-48-1, about Steric and Electronic Effects on the Configurational Stability of Residual Chiral Phosphorus-Centered Three-Bladed Propellers: Tris-aryl Phosphanes. Author is Rizzo, Simona; Benincori, Tiziana; Bonometti, Valentina; Cirilli, Roberto; Mussini, Patrizia R.; Pierini, Marco; Pilati, Tullio; Sannicolo, Francesco.

Triarylphosphines, e.g., tris(2-R,6-X-naphthyl)phosphine (R = Me, Et, X = H, SO3H, OEt), structurally designed to exist as residual enantiomers or diastereoisomers, bearing substituents differing in size and electronic properties on the aryl rings, were synthesized and characterized. Their electronic properties were evaluated from their electrochem. oxidation potential determined by voltammetry. The configurational stability of residual phosphines, evaluated by dynamic HPLC on a chiral stationary phase or/and by dynamic 1H and 31P NMR spectroscopy, is rather modest (barriers of ∼18-20 kcal mol-1), much lower than that shown by the corresponding phosphine oxides (barriers of ∼25-29 kcal mol-1). For the 1st time, the residual antipodes of a triarylphosphine were isolated in enantiopure state and the absolute configuration assigned to them by single-crystal anomalous x-ray diffraction anal. In this case, the racemization barrier could be calculated also by CD signal decay kinetics. A detailed computational study was carried out to clarify the helix reversal mechanism. Calculations indicated that the low configurational stability of tris-aryl phosphines can be attributed to an unexpectedly easy P pyramidal inversion which, depending upon the substituents present on the blades, can occur even on the most stable of the four conformers constituting a single residual stereoisomer.

After consulting a lot of data, we found that this compound(3411-48-1)Recommanded Product: 3411-48-1 can be used in many types of reactions. And in most cases, this compound has more advantages.

Reference:
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 14389-12-9, is researched, SMILESS is C1(C2=NN=NN2)=CC=NC=C1, Molecular C6H5N5Journal, Article, Research Support, Non-U.S. Gov’t, Dalton Transactions called Constructing novel Cd(II) metal-organic frameworks based on different highly connected secondary building units via alteration of reaction conditions, Author is Liu, Yan-Qing; Ren, Guo-Jian; Zhang, Ying-Hui; Xu, Jian; Bu, Xian-He, the main research direction is cadmium pyridyltetrazolate MOF preparation crystal structure photoluminescence; thermal decomposition gas adsorption cadmium pyridyltetrazolate MOF.Related Products of 14389-12-9.

Upon solvothermal reactions between Cd(II) salt and 5-pyridyl-tetrazolate (4-Ptz) under different reaction conditions, three new Cd(II) metal-organic frameworks (MOFs), namely [Cd3(4-Ptz)5(H2O)2(μ3-OH)·3DMA·5H2O·CH3OH]n (1), [Cd5(4-Ptz)8(CH3OH)2(μ3-OH)2·2DMA·4H2O·3CH3OH]n (2) and [{Cd9(4-Ptz)14(AC)2(μ3-OH)2(H2O)4}·8DMA·H2O·3CH3OH]n (3), were synthesized based on different highly connected secondary building units (SBUs). In the presence of triethylamine, 1 was constructed based on an 8-connected triangular trinuclear Cd3 SBU and exhibits a three-dimensional framework, while 2 was generated upon the addition of HCl, assembled through a close packing of the octahedron cages consisting of unprecedented 12-connected 4-Ptz bridged Cd5 SBUs and thus showing high thermal and chem. stability. For generating 3, two different kinds of Cd3 SBUs, including an 8-connected triangular SBU and a 10-connected linear SBU, were constructed and further integrated into a distorted octahedron-based net under the addition of both triethylamine and NaCl. In addition to the structural anal., the authors also focused on the investigation of gas adsorption and solid-state fluorescence properties of 2.

After consulting a lot of data, we found that this compound(14389-12-9)Related Products of 14389-12-9 can be used in many types of reactions. And in most cases, this compound has more advantages.

Reference:
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

Roselli, Christina A.; Gagne, Michel R. published an article about the compound: Tri(naphthalen-1-yl)phosphine( cas:3411-48-1,SMILESS:C1=CC2=C(C=C1)C(=CC=C2)P(C1=CC=CC2=C1C=CC=C2)C1=CC=CC2=C1C=CC=C2 ).Product Details of 3411-48-1. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:3411-48-1) through the article.

We report a computational study of the transfer of silylium from phosphine to heteroatom containing Lewis bases including ethers, phosphines and amines. The relative free energies of these compounds are compared to develop a thermodn. scale of stabilities that can help to interpret the chemoselectivity observed with complex natural products and biomass-derived sugars. Both the choice of silane and the phosphine Lewis base impact the thermodn. of this transfer.

After consulting a lot of data, we found that this compound(3411-48-1)Product Details of 3411-48-1 can be used in many types of reactions. And in most cases, this compound has more advantages.

Reference:
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

Application of 111-24-0. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 1,5-Dibromopentane, is researched, Molecular C5H10Br2, CAS is 111-24-0, about Efficient synthesis and characterization of novel bis-heterocyclic derivatives and benzo-fused macrocycles containing oxazolone or imidazolone subunits. Author is Sanad, Sherif M. H.; Mekky, Ahmed E. M..

Bis(3-(arylthiomethyl)benzaldehydes), linked to aliphatic spacers via ethers, were prepared and used as key synthons for the bis(2-phenyloxazol-5(4H)-ones) I [R = 4-Me-PhS, 4-Cl-PhS, 4-NO2-PhS; R1 = 2-phenyloxazol-5(4H)-one-4-methylene] via their reaction with benzoylglycine. Bis(oxazol-5(4H)-ones) I were reacted with the appropriate aromatic or heterocyclic amines to afford a novel series of bis(2-phenylimidazol-4-ones) II [X = 4-Me-Ph, 4-Cl-Ph] and their related hybrids with benzo[d]thiazole and pyrimidine-2,4(1H,3H)-dione. Moreover, bis(oxazol-5(4H)-ones) I [R = 4-Me-PhS, 4-Cl-PhS; R1 = 2-phenyloxazol-5(4H)-one-4-methylene] reacted with (4-aminobenzoyl)glycine to afford bis[(4-(5-oxo-1H-imidazol-1-yl)benzoyl)glycine] derivatives II [R = 4-Me-PhS, 4-Cl-PhS; X = 4-C(O)NHCH2COOH-Ph] followed by their reaction with anisaldehyde gave corresponding bis(5-oxo-1H-imidazol-1-yloxazol-5(4H)-one) hybrids III [R2 = 4-(4-OMe-phenylmethylene)-oxazol-5(4H)-one]. Furthermore, bis(3-(arylthiomethyl)benzaldehydes) I [R = 4-Me-PhS, 4-Cl-PhS; R1 = CHO] were reacted with 2,2′-(terephthaloylbis(azanediyl))diacetic acid to give benzo-fused macrocycles IV [Y = O] containing oxazolone subunits which reacted with aromatic amines to give benzo-fused macrocycles IV [Y = 4-Me-Ph-N, 4-Cl-Ph-N] containing imidazolone subunits.

After consulting a lot of data, we found that this compound(111-24-0)Application of 111-24-0 can be used in many types of reactions. And in most cases, this compound has more advantages.

Reference:
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 2-Aminoquinazolin-4(3H)-one, is researched, Molecular C8H7N3O, CAS is 20198-19-0, about Integration of Bromine and Cyanogen Bromide Generators for the Continuous-Flow Synthesis of Cyclic Guanidines.Formula: C8H7N3O.

A continuous-flow process for the in situ on-demand generation of cyanogen bromide (BrCN) from bromine and potassium cyanide that makes use of membrane-separation technol. is described. In order to circumvent the handling, storage, and transportation of elemental bromine, a continuous bromine generator using bromate-bromide syn-proportionation can optionally be attached upstream. Monitoring and quantification of BrCN generation was enabled through the implementation of in-line FTIR technol. With the Br2 and BrCN generators connected in series, 0.2 mmol BrCN per min was produced, which corresponds to a 0.8 M solution of BrCN in dichloromethane. The modular Br2/BrCN generator was employed for the synthesis of a diverse set of biol. relevant five- and six-membered cyclic amidines and guanidines. The set-up can either be operated in a fully integrated continuous format or, where reactive crystallization is beneficial, in semi-batch mode.

After consulting a lot of data, we found that this compound(20198-19-0)Formula: C8H7N3O can be used in many types of reactions. And in most cases, this compound has more advantages.

Reference:
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

Recommanded Product: 3411-48-1. So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic. Compound: Tri(naphthalen-1-yl)phosphine, is researched, Molecular C30H21P, CAS is 3411-48-1, about A Novel Triphenylphosphonium Carrier to Target Mitochondria without Uncoupling Oxidative Phosphorylation.

Mitochondrial dysfunction is an underlying pathol. in numerous diseases. Delivery of diagnostic and therapeutic cargo directly into mitochondria is a powerful approach to study and treat these diseases. The triphenylphosphonium (TPP+) moiety is the most widely used mitochondriotropic carrier. However, studies have shown that TPP+ is not inert; TPP+ conjugates uncouple mitochondrial oxidative phosphorylation. To date, all efforts toward addressing this problem have focused on modifying lipophilicity of TPP+-linker-cargo conjugates to alter mitochondrial uptake, albeit with limited success. We show that structural modifications to the TPP+ Ph rings that decrease electron d. on the phosphorus atom can abrogate uncoupling activity as compared to the parent TPP+ moiety and prevent dissipation of mitochondrial membrane potential. These alterations of the TPP+ structure do not neg. affect the delivery of cargo to mitochondria. Results here identify the 4-CF3-Ph TPP+ moiety as an inert mitochondria-targeting carrier to safely target pharmacophores and probes to mitochondria.

After consulting a lot of data, we found that this compound(3411-48-1)Recommanded Product: 3411-48-1 can be used in many types of reactions. And in most cases, this compound has more advantages.

Reference:
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis