2-[4-[[5-(Acetyloxymethyl)-2-butyl-4-chloroimidazol-1-yl]methyl]phenyl]benzoic acid

Base Information

Chemical Name:2-[4-[[5-(Acetyloxymethyl)-2-butyl-4-chloroimidazol-1-yl]methyl]phenyl]benzoic acid
CAS No.:114799-14-3
Molecular Formula:C₂₄H₂₅ClN₂O₄
Molecular Weight:440.927
Hs Code.:
ChEMBL ID:CHEMBL315386
DSSTox Substance ID:DTXSID501113318
Nikkaji Number:J424.244K

Synonyms:CHEMBL315386;DTXSID501113318;BDBM50229444;114799-14-3

Suppliers and Price of 2-[4-[[5-(Acetyloxymethyl)-2-butyl-4-chloroimidazol-1-yl]methyl]phenyl]benzoic acid

Supply Marketing:

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

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Chemical Property of 2-[4-[[5-(Acetyloxymethyl)-2-butyl-4-chloroimidazol-1-yl]methyl]phenyl]benzoic acid

Chemical Property:

XLogP3:5.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:440.1502850
Heavy Atom Count:31
Complexity:596

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)COC(=O)C)Cl

Technology Process of 2-[4-[[5-(Acetyloxymethyl)-2-butyl-4-chloroimidazol-1-yl]methyl]phenyl]benzoic acid

There total 12 articles about 2-[4-[[5-(Acetyloxymethyl)-2-butyl-4-chloroimidazol-1-yl]methyl]phenyl]benzoic 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: 89.0%

: 108-24-7
acetic anhydride

: 114798-27-5
2-butyl-4-chloro-5-hydroxymethyl-1-[(2'carboxybiphenyl-4-yl)methyl]imidazole

: 114799-14-3
5-(acetoxymethyl)-2-butyl-1-<(2'-carboxybiphenyl-4-yl)methyl>-4-chloroimidazole

Guidance literature:: With dmap; triethylamine; In tetrahydrofuran; at 25 ℃; for 4.5h;
DOI:10.1021/jm00112a031

Reference yield:

: 57598-33-1
2-(2-methoxyphenyl)-4,4-dimethyl-2-oxazoline

: 114799-14-3
5-(acetoxymethyl)-2-butyl-1-<(2'-carboxybiphenyl-4-yl)methyl>-4-chloroimidazole

Guidance literature:: Multi-step reaction with 7 steps

1: tetrahydrofuran / 2 h / 20 °C

2: 88 percent / 4.5 N aq. HCl / 12 h / Heating

3: 1.) acetyl chloride / 1.) 0 deg C, 0.25 h, 2.) reflux, 4 h

4: N-bromosuccinimide, dibenzoyl peroxide / CCl₄ / 3 h / Heating

5: 1.) sodium methoxide / 1.) DMF, 25 deg C, 0.25 h, 2.) DMF, 40 deg C, 4 h

6: 81 percent / 10percent aq. NaOH / ethanol / 14 h / Heating

7: 89 percent / 4-(dimethylamino)pyridine, triethylamine / tetrahydrofuran / 4.5 h / 25 °C

With hydrogenchloride; dmap; sodium hydroxide; N-Bromosuccinimide; sodium methylate; triethylamine; acetyl chloride; dibenzoyl peroxide; In tetrahydrofuran; tetrachloromethane; ethanol;
DOI:10.1021/jm00112a031

Reference yield:

: 624-31-7
4-tolyl iodide

: 114799-14-3
5-(acetoxymethyl)-2-butyl-1-<(2'-carboxybiphenyl-4-yl)methyl>-4-chloroimidazole

Guidance literature:: Multi-step reaction with 5 steps

1: 11 percent / Cu / 1 h / 210 °C

2: N-bromosuccinimide, dibenzoyl peroxide / CCl₄ / 3 h / Heating

3: 1.) sodium methoxide / 1.) DMF, 25 deg C, 0.25 h, 2.) DMF, 40 deg C, 4 h

4: 81 percent / 10percent aq. NaOH / ethanol / 14 h / Heating

5: 89 percent / 4-(dimethylamino)pyridine, triethylamine / tetrahydrofuran / 4.5 h / 25 °C

With dmap; sodium hydroxide; N-Bromosuccinimide; sodium methylate; copper; triethylamine; dibenzoyl peroxide; In tetrahydrofuran; tetrachloromethane; ethanol;
DOI:10.1021/jm00112a031