1,3-Dioxolan-2-one, 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4R,5R)-

Base Information

• Chemical Name: 1,3-Dioxolan-2-one, 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4R,5R)-
• CAS No.: 107659-68-7
• Molecular Formula: C₁₈H₁₂Cl₃N₃O₃
• Molecular Weight: 424.671
• ChEMBL ID: CHEMBL10394
• Mol file: 107659-68-7.mol

Synonyms:1,3-Dioxolan-2-one, 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4R,5R)-;107659-68-7;CHEMBL10394;(4R,5R)-5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one;1,3-Dioxolan-2-one, 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, rel-(4R,5R)-

Chemical Property of 1,3-Dioxolan-2-one, 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4R,5R)-

Chemical Property:

• Vapor Pressure: 9.09E-16mmHg at 25°C
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 422.994424
• Heavy Atom Count: 27
• Complexity: 549

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2C(OC(=O)O2)(CN3C=NC=N3)C4=C(C=C(C=C4)Cl)Cl)Cl
• Isomeric SMILES: C1=CC(=CC=C1[C@@H]2[C@](OC(=O)O2)(CN3C=NC=N3)C4=C(C=C(C=C4)Cl)Cl)Cl

Technology Process of 1,3-Dioxolan-2-one, 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4R,5R)-

There total 10 articles about 1,3-Dioxolan-2-one, 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4R,5R)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 86.0%

(erythro)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propylene glycol (93363-60-1,96223-50-6,96223-54-0,107538-66-9,107741-29-7,107741-30-0) + 1,1'-carbonyldiimidazole (530-62-1) → 4-(2,4-dichlorophenyl)-5-(4-chlorophenyl)-2-oxo-4-<(1H-1,2,4-triazol-1-yl)methyl>-1,3-dioxolane (96223-41-5,96223-46-0,107659-67-6,107659-68-7)

Guidance literature:

In chloroform; for 1h; Heating;

DOI:10.1021/jm00389a016

Reference yield: 47.0%

(threo)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propylene glycol (93363-60-1,96223-50-6,96223-54-0,107538-66-9,107741-29-7,107741-30-0) + 1,1'-carbonyldiimidazole (530-62-1) → 4-(2,4-dichlorophenyl)-5-(4-chlorophenyl)-2-oxo-4-<(1H-1,2,4-triazol-1-yl)methyl>1,3-dioxolane (96223-41-5,96223-46-0,107659-67-6,107659-68-7)

Guidance literature:

In dichloromethane; for 1h; Heating;

DOI:10.1021/jm00389a016

Reference yield:

(4-Chloro-phenyl)-[2-(2,4-dichloro-phenyl)-oxiranyl]-methanone (111299-34-4) → 4-(2,4-dichlorophenyl)-5-(4-chlorophenyl)-2-oxo-4-<(1H-1,2,4-triazol-1-yl)methyl>1,3-dioxolane (96223-41-5,96223-46-0,107659-67-6,107659-68-7)

Guidance literature:

Multi-step reaction with 3 steps

1: dimethylformamide / 17 h / 50 °C

2: 3 percent / NaBH₄ / ethanol / 1 h / Ambient temperature

3: 47 percent / CH₂Cl₂ / 1 h / Heating

With sodium tetrahydroborate; In ethanol; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/jm00389a016

upstream raw materials:

(threo)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propylene glycol

1,1'-carbonyldiimidazole

(4-Chloro-phenyl)-[2-(2,4-dichloro-phenyl)-oxiranyl]-methanone

1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-2-hydroxy-3-[1,2,4]triazol-1-yl-propan-1-one