Benzoic acid, 3-chloro-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester

Base Information

Chemical Name:Benzoic acid, 3-chloro-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester
CAS No.:102274-41-9
Molecular Formula:C₁₃H₁₂ClN₃O₄
Molecular Weight:309.709
Hs Code.:
DSSTox Substance ID:DTXSID501147856
ChEMBL ID:CHEMBL4093881

Synonyms:CHEMBL4093881;Oprea1_398459;Oprea1_703044;DTXSID501147856;BDBM50233866;AKOS000522755;Benzoic acid, 3-chloro-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester;102274-41-9

Suppliers and Price of Benzoic acid, 3-chloro-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester

Supply Marketing:

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

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Chemical Property of Benzoic acid, 3-chloro-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:309.0516336
Heavy Atom Count:21
Complexity:390

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=NC=C(N1CCOC(=O)C2=CC(=CC=C2)Cl)[N+](=O)[O-]

Technology Process of Benzoic acid, 3-chloro-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester

There total 3 articles about Benzoic acid, 3-chloro-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 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%

: 443-48-1
metronidazole

: 535-80-8
3-chlorobenzoate

: 102274-41-9
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-chlorobenzoate

Guidance literature:: With dmap; dicyclohexyl-carbodiimide; In dichloromethane; at 0 - 20 ℃;
DOI:10.2174/157340612802084360

Reference yield:

: 42428-03-5
(3-chlorophenyl)(1H-imidazol-1-yl)methanone

: 443-48-1
metronidazole

: 102274-41-9
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-chlorobenzoate

Guidance literature:: In tetrahydrofuran; at 20 ℃; for 24h;
DOI:10.1016/j.ejmech.2016.11.031

Reference yield:

: 535-80-8
3-chlorobenzoate

: 102274-41-9
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-chlorobenzoate

Guidance literature:: Multi-step reaction with 2 steps

1: tetrahydrofuran / 0.5 h / 20 °C

2: tetrahydrofuran / 24 h / 20 °C

In tetrahydrofuran;
DOI:10.1016/j.ejmech.2016.11.031