Benzoic acid, 4-(acetylamino)-3-methyl-, ethyl ester (9CI)

Base Information

• Chemical Name: Benzoic acid, 4-(acetylamino)-3-methyl-, ethyl ester (9CI)
• CAS No.: 808745-05-3
• Molecular Formula: C12H15 N O3
• Molecular Weight: 221.256
• Mol file: 808745-05-3.mol

Synonyms:4-Acetylamino-3-methylbenzoicacid ethyl ester; Ethyl 4-(acetylamino)-3-methylbenzoate

Chemical Property of Benzoic acid, 4-(acetylamino)-3-methyl-, ethyl ester (9CI)

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.552
• Boiling Point: 386.018°C at 760 mmHg
• PKA: 14.59±0.70(Predicted)
• Flash Point: 187.257°C
• PSA: 55.40000
• Density: 1.145g/cm³
• LogP: 2.20310

Purity/Quality:

98%Min ^*data from raw suppliers

4-(ACETYLAMINO)-3-METHYL-BENZOIC ACID ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzoic acid, 4-(acetylamino)-3-methyl-, ethyl ester (9CI)

There total 3 articles about Benzoic acid, 4-(acetylamino)-3-methyl-, ethyl ester (9CI) 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: 95.0%

ethanol (64-17-5) + 4-acetamido-3-methylbenzoic acid (37901-92-1) → ethyl 4-acetamido-3-methylbenzoate (808745-05-3)

Guidance literature:

With thionyl chloride; at 0 - 50 ℃; for 3h;

DOI:10.3184/174751915X14357663684593

Reference yield: 89.0%

1-amino-2-methylbenzene-4-carboxylic acid ethyl ester (40800-65-5) + acetic anhydride (108-24-7) → ethyl 4-acetamido-3-methylbenzoate (808745-05-3)

Guidance literature:

In toluene; at 20 - 90 ℃; for 2h;

Reference yield:

4-amino 3-methylbenzoic acid (2486-70-6) → ethyl 4-acetamido-3-methylbenzoate (808745-05-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: triethylamine / dichloromethane / 0.5 h

1.2: 72 h / 20 °C

2.1: thionyl chloride / 3 h / 0 - 50 °C

With thionyl chloride; triethylamine; In dichloromethane;

DOI:10.3184/174751915X14357663684593

upstream raw materials:

1-amino-2-methylbenzene-4-carboxylic acid ethyl ester

acetic anhydride

4-amino 3-methylbenzoic acid

ethanol

Downstream raw materials:

ethyl 1-acetyl-1H-indazole-5-carboxylatee

ethyl 4-acetylamino-3-bromomethyl-benzoate

ethyl 3,4-diamino-5-methylbenzoate

ethyl 2,4-dimethyl-1H-benzimidazole-6-carboxylate