Tag: M.W=50-100

Pu, Xiang published the artcileDoubly stereoconvergent construction of vicinal all-carbon quaternary and tertiary stereocenters by Cu/Mg-catalyzed propargylic substitution, Recommanded Product: 1-Methylurea, the main research area is alkyl acetyl benzyl phenyl pentynoate preparation diastereoselective enantioselective; propargyl carbonate keto ester propargylic substitution copper magnesium catalyst.

Here a doubly stereoconvergent, Cu/Mg-catalyzed asym. propargylic substitution reaction to convert simple starting materials to products with vicinal tertiary and all-carbon quaternary stereocenters in high yields and excellent diastereo- and enantioselectivities was reported. Both the nucleophiles and the electrophiles employed in this transformation were racemic. This reaction uses earth abundant metal catalysts, operates under ambient conditions and demonstrated broad substrate scope. The products of this reaction were functional group rich and synthetically versatile. Key to the success of this development was the devise of a Cu/Mg dual catalytic system and the identification of a bulky tridentate pyridinebisimidazoline (PyBim) ligand.

Nature Communications published new progress about Diastereoselective synthesis. 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, Recommanded Product: 1-Methylurea.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Vijit, Kumar published the artcileTetrel and Pnictogen Bonds Complement Hydrogen and Halogen Bonds in Framing the Interactional Landscape of Barbituric Acids, Synthetic Route of 598-50-5, the main research area is tetrel pnictogen hydrogen halogen bond barbituric acid.

Exptl. and theor. studies of fluoro-, chloro-, and bromo-substituted derivatives of barbituric acid and indandione show that imide protons form short hydrogen bonds and bromine or, to a lesser extent, chlorine atoms form halogen bonds. The imide nitrogen atoms act as effective pnictogen bond donors, while C(sp2) and C(sp3) atoms act as tetrel bond donors; the resulting N···O and C···O close interactions are a distinctive feature of crystal lattices in all compounds Importantly, halogen atoms promote the electrophilicity of C(sp3) sites and favor the formation of C(sp3)···O close contacts. Oxygen atoms of carbonyl groups of barbituric and indandione units or of water mols. function as the interaction acceptor sites: namely, they donate electron d. to hydrogen, halogen, nitrogen, and carbon atoms. Modeling of various barbituric acid derivatives indicates that the pos. electrostatic potentials of π-holes orthogonal to the C(sp2) carbons and σ-holes on the elongation of quasi-axial F/Cl/Br-C(sp3) bonds merge to produce a single well-defined point of the most pos. electrostatic potential on one face of the barbituric acids. This single local maximum of the potential on the mol. face is close to the site occupied by the oxygen forming the C(sp3)···O, and C(sp2)···O, short contacts observed in crystals.

Crystal Growth & Design published new progress about Crystal structure. 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, Synthetic Route of 598-50-5.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Nayak, Amrita published the artcileAnhydrous vs Hydrated f-Element Acetate Polymers Dictated by the Stoichiometry of Protic Acidic/Basic Azole Mixtures, Synthetic Route of 1455-77-2, the main research area is cerium neodymium azole acetate anhydrous hydrated coordination polymer preparation; crystal mol structure cerium neodymium azole acetate coordination polymer.

Continuing authors investigations of ionic liquid (IL) based routes to a library of f-element/soft donor complexes which could be studied crystallog., they have explored the dissolution of f-element salts in protic imidazole-based ILs containing only soft donors at high temperatures to drive off volatiles, including water and carboxylic or mineral acids. Here they present their results, reacting acidic and basic azoles in 1:3 or 1:1 stoichiometric compositions at elevated temperature, followed by saturation with Nd(OAc)3·xH2O or Ce(OAc)3·xH2O, which led to 13 new metal-acetate polymeric complexes identified by single-crystal x-ray diffraction. Authors found that the diversity in coordination modes of the simple acetate ligand that interfere with substitution of the softer N donors led to several readily crystallizable complexes forming two distinct groups with respect to f-element interaction with the ionic liquid precursors. When the acidic/basic azole ratio was 1:3, acetate and a neutral basic azole were coordinated to the metal centers but no water, although in one case (2) water was observed in the secondary coordination sphere: [Ce(μ2-OAc)3(C1i.m.)]n (1, C1i.m. = 1-methylimidazole), [Nd(μ2-OAc)3(C1i.m.)]n·nH2O (2), [Ce(μ2-OAc)3(C2i.m.)]n (3, C2i.m. = 1-ethylimidazole), [Ln(μ2-OAc)3DMF]n (Ln = Nd (4), Ce (5); DMF was substituted for the azole mixture), and [Nd(μ2-OAc)3(C4i.m.)]n (6, C4i.m. = 1-butylimidazole). However, when the stoichiometric ratio was 1:1, water was always observed coordinated to the metal ions with the acidic azole included in the structure as a solvate or cocrystal, despite a higher reaction temperature: [Nd(μ2-OAc)3(OH2)]n·n(1,2,3-Taz) (7, 1,2,3-Taz = 1,2,3-triazole), [Ln(μ2-OAc)3(OH2)]n·n(4,5-DCim) (Ln = Nd (8), Ce (9), 4,5-DCim = 4,5-dicyanoimidazole), [Ln(μ2-OAc)3(OH2)]n·n(3,5-diNH2-1,2,4-Taz) (Ln = Nd (10), Ce (11), 3,5-diNH2-1,2,4-Taz = 3,5-diamino-1,2,4-triazole), [Ce(μ2-OAc)3(OH2)]n·n(3-NH2-1,2,4-Taz) (12, 3-NH2-1,2,4-Taz = 3-amino-1,2,4-triazole), and [Nd(μ2-OAc)3(OH2)]n·n(5-NH2-Tz) (13, 5-NH2-Tz = 5-aminotetrazole). All of the compounds retain the Ln:OAc- ratio of 1:3 and form 1D polymeric chains; however, they exhibit a variety of coordination modes affecting the degree of chain condensation. The isolation of both hydrated and anhydrous products revealed different abilities of the investigated soft N-donors to compete with O-donors finding their place in the coordination sphere of the lanthanide or in the crystal lattice.

Crystal Growth & Design published new progress about Crystal structure. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Synthetic Route of 1455-77-2.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Nayak, Amrita published the artcileAnhydrous vs Hydrated f-Element Acetate Polymers Dictated by the Stoichiometry of Protic Acidic/Basic Azole Mixtures, Computed Properties of 1455-77-2, the main research area is cerium neodymium azole acetate anhydrous hydrated coordination polymer preparation; crystal mol structure cerium neodymium azole acetate coordination polymer.

Continuing authors investigations of ionic liquid (IL) based routes to a library of f-element/soft donor complexes which could be studied crystallog., they have explored the dissolution of f-element salts in protic imidazole-based ILs containing only soft donors at high temperatures to drive off volatiles, including water and carboxylic or mineral acids. Here they present their results, reacting acidic and basic azoles in 1:3 or 1:1 stoichiometric compositions at elevated temperature, followed by saturation with Nd(OAc)3·xH2O or Ce(OAc)3·xH2O, which led to 13 new metal-acetate polymeric complexes identified by single-crystal x-ray diffraction. Authors found that the diversity in coordination modes of the simple acetate ligand that interfere with substitution of the softer N donors led to several readily crystallizable complexes forming two distinct groups with respect to f-element interaction with the ionic liquid precursors. When the acidic/basic azole ratio was 1:3, acetate and a neutral basic azole were coordinated to the metal centers but no water, although in one case (2) water was observed in the secondary coordination sphere: [Ce(μ2-OAc)3(C1i.m.)]n (1, C1i.m. = 1-methylimidazole), [Nd(μ2-OAc)3(C1i.m.)]n·nH2O (2), [Ce(μ2-OAc)3(C2i.m.)]n (3, C2i.m. = 1-ethylimidazole), [Ln(μ2-OAc)3DMF]n (Ln = Nd (4), Ce (5); DMF was substituted for the azole mixture), and [Nd(μ2-OAc)3(C4i.m.)]n (6, C4i.m. = 1-butylimidazole). However, when the stoichiometric ratio was 1:1, water was always observed coordinated to the metal ions with the acidic azole included in the structure as a solvate or cocrystal, despite a higher reaction temperature: [Nd(μ2-OAc)3(OH2)]n·n(1,2,3-Taz) (7, 1,2,3-Taz = 1,2,3-triazole), [Ln(μ2-OAc)3(OH2)]n·n(4,5-DCim) (Ln = Nd (8), Ce (9), 4,5-DCim = 4,5-dicyanoimidazole), [Ln(μ2-OAc)3(OH2)]n·n(3,5-diNH2-1,2,4-Taz) (Ln = Nd (10), Ce (11), 3,5-diNH2-1,2,4-Taz = 3,5-diamino-1,2,4-triazole), [Ce(μ2-OAc)3(OH2)]n·n(3-NH2-1,2,4-Taz) (12, 3-NH2-1,2,4-Taz = 3-amino-1,2,4-triazole), and [Nd(μ2-OAc)3(OH2)]n·n(5-NH2-Tz) (13, 5-NH2-Tz = 5-aminotetrazole). All of the compounds retain the Ln:OAc- ratio of 1:3 and form 1D polymeric chains; however, they exhibit a variety of coordination modes affecting the degree of chain condensation. The isolation of both hydrated and anhydrous products revealed different abilities of the investigated soft N-donors to compete with O-donors finding their place in the coordination sphere of the lanthanide or in the crystal lattice.

Crystal Growth & Design published new progress about Crystal structure. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Computed Properties of 1455-77-2.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Jiang, Zheng-Meng published the artcileGreen and efficient extraction of different types of bioactive alkaloids using deep eutectic solvents, SDS of cas: 598-50-5, the main research area is Caulis Coptis Stephania Tetradium Sophora; bioactive alkaloid extraction deep eutectic solvent.

Deep eutectic solvents (DESs) have attracted increasing attention as eco-friendly and efficient alternatives to conventional organic solvents. In this study, five herbal medicines (HMs) including Caulis sinomenii, Coptis chinensis, Stephania tetrandra, Tetradium ruticarpum, and Sophora flavescens were selected for the first time to comprehensively evaluate the potential and effectiveness of DESs on the extraction of Morphinane, Protoberberine, Bisbenzylisoquinoline, Indole and Quinolizidine alkaloids, resp. A total of 75 types of binary or ternary DESs with different polarity, viscosity, pH, and solubilization abilities were tailored to screen a suitable DESs for extraction of morphinane alkaloids from Caulis sinomenii, and the extraction conditions were optimized using response surface methodol. (RSM) and artificial neural network hybridized with genetic algorithm (ANN-GA) for the first time. The results demonstrated that DESs were excellent solvents for extraction of alkaloids with superior efficiency to conventional extraction solvents. Moreover, both ANOVA and sensitivity anal. demonstrated that the most critical parameter for alkaloids extraction was water content in DESs. This study reveals the potential of eco-friendly DESs for applications involving the efficient extraction of bioactive alkaloids from natural sources.

Microchemical Journal published new progress about Coptis chinensis. 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, SDS of cas: 598-50-5.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Wang, Jiaqin published the artcileInvestigation of Deep Eutectic Solvent-Based Microwave-Assisted Extraction and Efficient Recovery of Natural Products, Application of 1-Methylurea, the main research area is deep eutectic solvent microwave assisted natural.

A systematic study of the principles of deep eutectic solvent microwave-assisted extraction (DES-MAE) was performed. It was found that the heating rates of most DESs decreased (heat capacity increased) under microwave irradiation with increasing water content, allowing high-efficiency extraction for thermally sensitive compounds In addition, DESs containing carboxylic acids reacted with hydroxyl groups of sugar and choline chloride, resulting in cell wall destruction and inhibition of cellulose, hemicellulose and lignin reconnection in cell walls through hydrogen bonds, thus leading to better extraction performance. This was verified by extracting anthraquinones from rheum palmatum by using DES-MAE and optimizing extraction conditions. DES with citric acid as the hydrogen bonding donor gave the highest extraction efficiency under the optimized conditions. In addition, anthraquinones in the DES extract were recovered by using three kinds of silica modified by different functional groups. The results showed that material containing a Ph group is beneficial to the recovery of anthraquinones in acid-based DESs, because it can facilitate strong hydrophobic and π-π interactions. This study showcased the green chem. applications of DES-MAE in laboratory and industrial alike, and demonstrates the recovery of natural products from DES extracts The findings also provide valuable information for green extraction, modification, and applications of cellulose, hemicellulose and lignin.

ACS Sustainable Chemistry & Engineering published new progress about Biomass. 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, Application of 1-Methylurea.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem