{2-Butyl-4-chloro-1-[(4-nitrophenyl)methyl]-1H-imidazol-5-yl}acetic acid

Base Information

Chemical Name:{2-Butyl-4-chloro-1-[(4-nitrophenyl)methyl]-1H-imidazol-5-yl}acetic acid
CAS No.:114772-03-1
Molecular Formula:C16H18ClN3O4
Molecular Weight:351.79
Hs Code.:
DSSTox Substance ID:DTXSID30571930
Nikkaji Number:J806.755D
Wikidata:Q82460125
Mol file:114772-03-1.mol

Synonyms:114772-03-1;SCHEMBL430;DTXSID30571930;GSXCMKWZZYPXIJ-UHFFFAOYSA-N;{2-Butyl-4-chloro-1-[(4-nitrophenyl)methyl]-1H-imidazol-5-yl}acetic acid;AKOS000278496;2-Butyl-4-chloro-1-(4-nitrobenzyl)imidazole-5-acetic acid

Suppliers and Price of {2-Butyl-4-chloro-1-[(4-nitrophenyl)methyl]-1H-imidazol-5-yl}acetic acid

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of {2-Butyl-4-chloro-1-[(4-nitrophenyl)methyl]-1H-imidazol-5-yl}acetic acid

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:351.0985838
Heavy Atom Count:24
Complexity:438

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC1=NC(=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)O)Cl

Technology Process of {2-Butyl-4-chloro-1-[(4-nitrophenyl)methyl]-1H-imidazol-5-yl}acetic acid

There total 4 articles about {2-Butyl-4-chloro-1-[(4-nitrophenyl)methyl]-1H-imidazol-5-yl}acetic acid 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: 98.0%

: 114771-99-2
2-Butyl-4-chloro-5-(cyanomethyl]-l-[(4-nitrophenyl)-methyl]imidazole

: 114772-03-1
EXP 9993

Guidance literature:: With hydrogenchloride; acetic acid; for 6h; Heating;
DOI:10.1021/jm00167a007

Reference yield:

: 79047-41-9
2-n-butyl-4-chloro-5-hydroxymethylimidazole

: 114772-03-1
EXP 9993

Guidance literature:: Multi-step reaction with 3 steps

1: base

2: 1.) SO₂Cl₂, 2.) n-Bu₄NBr / 1.) CHCl₃, reflux, 3 h, 2.) CHCl₃, H₂O, RT, 2 h

3: 6 N aq. HCl / 3 h / Heating

With hydrogenchloride; sulfuryl dichloride; tetrabutylammomium bromide;
DOI:10.1021/jm00064a007

Reference yield:

: 114799-92-7
2-Butyl-4-chloro-1-[(4-nitrophenyl)methyl]-1H-imidazole-5-methanol

: 114772-03-1
EXP 9993

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) SO₂Cl₂, 2.) n-Bu₄NBr / 1.) CHCl₃, reflux, 3 h, 2.) CHCl₃, H₂O, RT, 2 h

2: 6 N aq. HCl / 3 h / Heating

With hydrogenchloride; sulfuryl dichloride; tetrabutylammomium bromide;
DOI:10.1021/jm00064a007