Benzoic acid [(2R)-2alpha-(2,4-dichlorophenyl)-2beta-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4beta-yl]methyl ester

Base Information

Chemical Name:Benzoic acid [(2R)-2alpha-(2,4-dichlorophenyl)-2beta-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4beta-yl]methyl ester
CAS No.:67914-84-5
Molecular Formula:C₂₀H₁₇Cl₂N₃O₄
Molecular Weight:434.279
Hs Code.:
Nikkaji Number:J283.066C

Synonyms:Benzoic acid [(2R)-2alpha-(2,4-dichlorophenyl)-2beta-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4beta-yl]methyl ester

Suppliers and Price of Benzoic acid [(2R)-2alpha-(2,4-dichlorophenyl)-2beta-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4beta-yl]methyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Total 20 raw suppliers

Chemical Property of Benzoic acid [(2R)-2alpha-(2,4-dichlorophenyl)-2beta-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4beta-yl]methyl ester

Chemical Property:

Vapor Pressure:5.54E-14mmHg at 25°C
Boiling Point:591.9°Cat760mmHg
Flash Point:311.8°C
PSA：75.47000
Density:1.44g/cm³
LogP:3.71030
XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:433.0596114
Heavy Atom Count:29
Complexity:566

Purity/Quality:: 99% ,98%,Electron Grade , ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(OC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl)COC(=O)C4=CC=CC=C4
Isomeric SMILES:C1[C@@H](O[C@@](O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl)COC(=O)C4=CC=CC=C4

Technology Process of Benzoic acid [(2R)-2alpha-(2,4-dichlorophenyl)-2beta-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4beta-yl]methyl ester

There total 12 articles about Benzoic acid [(2R)-2alpha-(2,4-dichlorophenyl)-2beta-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4beta-yl]methyl ester 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: 90.0%

: 532-32-1
sodium benzoate

: C₁₃H₁₂Cl₃N₃O₂

: 67914-84-5
cis-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolane-4-methanol benzoate (ester)

Guidance literature:: In N,N-dimethyl-formamide; at 130 ℃; for 20h; Solvent; Temperature;

Reference yield: 86.3%

: 532-32-1
sodium benzoate

: C₁₃H₁₂Cl₃N₃O₂

: 172587-56-3,67914-84-5
Benzoic acid (2R,4R)-2-(2,4-dichloro-phenyl)-2-[1,2,4]triazol-1-ylmethyl-[1,3]dioxolan-4-ylmethyl ester

Guidance literature:: In 1-methyl-pyrrolidin-2-one; at 120 ℃; for 10h; Solvent; Temperature;

Reference yield:

: 58905-16-1
1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone

: 67914-84-5
cis-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolane-4-methanol benzoate (ester)

Guidance literature:: Multi-step reaction with 2 steps

1: trifluorormethanesulfonic acid / toluene / 6 h / 80 °C

2: N,N-dimethyl-formamide / 20 h / 130 °C

With trifluorormethanesulfonic acid; In N,N-dimethyl-formamide; toluene;