METHYL 3-METHOXY-4-(4-METHYL-1-IMIDAZOLYL)BENZOATE

Base Information

• Chemical Name: METHYL 3-METHOXY-4-(4-METHYL-1-IMIDAZOLYL)BENZOATE
• CAS No.: 870837-21-1
• Molecular Formula: C13H14 N2 O3
• Molecular Weight: 246.266
• Hs Code.: 2933290090
• Mol file: 870837-21-1.mol

Synonyms:METHYL 3-METHOXY-4-(4-METHYL-1-IMIDAZOLYL)BENZOATE

Chemical Property of METHYL 3-METHOXY-4-(4-METHYL-1-IMIDAZOLYL)BENZOATE

Chemical Property:

• PSA: 53.35000
• LogP: 1.97590
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98% ^*data from raw suppliers

3-METHOXY-4-(4-METHYL-IMIDAZOL-1-YL)-BENZOICACIDMETHYLESTER 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of METHYL 3-METHOXY-4-(4-METHYL-1-IMIDAZOLYL)BENZOATE

There total 12 articles about METHYL 3-METHOXY-4-(4-METHYL-1-IMIDAZOLYL)BENZOATE 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: 99.0%

methanol (67-56-1) + 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzoic acid hydrochloride → 3-methoxy-4-(4-methylimidazol-1-yl)benzoic acid methyl ester (870837-21-1)

Guidance literature:

With thionyl chloride; at 65 ℃; for 1.7h; Inert atmosphere; Cooling with ice bath;

Reference yield: 77.0%

4-methyl-1H-imidazole (822-36-6) + 3-methoxy-4-trifluoromethane-sulfonyloxy-benzoic acid methyl ester (175153-75-0) → 3-methoxy-4-(4-methylimidazol-1-yl)benzoic acid methyl ester (870837-21-1)

Guidance literature:

With 2-di-tertbutylphosphino-3,4,5,6-tetramethyl-2',4',6'-triisopropyl-1,1'-biphenyl; potassium phosphate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In 1,4-dioxane; toluene; at 120 ℃; for 5h; regioselective reaction; Inert atmosphere;

DOI:10.1021/ja2102373

Reference yield: 59.0%

4-[formyl-(2-oxopropyl)amino]-3-methoxybenzoic acid methyl ester (870837-20-0) → 3-methoxy-4-(4-methylimidazol-1-yl)benzoic acid methyl ester (870837-21-1)

Guidance literature:

With ammonium acetate; acetic acid; In water; Inert atmosphere;

DOI:10.1021/acs.joc.6b02979

upstream raw materials:

4-[formyl-(2-oxopropyl)amino]-3-methoxybenzoic acid methyl ester

3,4-Difluorobenzonitrile

4-fluoro-3-methoxybenzonitrile

methanol

Downstream raw materials:

3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde

3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzoic acid

3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzohydrazide

tert-butyl 2-{[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]carbonyl}hydrazinecarboxylate

Refernces

• 1、 -. "HETEROCYCLIC COMPOUND AND USE THEREOF". Page/Page column 52. . Retrieved 2012/03/26.
• 2、 -. "NOVEL BENZONITRILE COMPOUNDS AND METHOD FOR PREPARING THE SAME". . . Retrieved 2011/04/24.