4-amino-3-trifluoromethyl-benzoic acid methyl ester

Base Information

• Chemical Name: 4-amino-3-trifluoromethyl-benzoic acid methyl ester
• CAS No.: 167760-75-0
• Molecular Formula: C9H8 F3 N O2
• Molecular Weight: 219.163
• Hs Code.: 2922499990
• Mol file: 167760-75-0.mol

Synonyms:4-Amino-3-trifluoromethylbenzoicacid methyl ester; Methyl 3-(trifluoromethyl)-4-aminobenzoate

Chemical Property of 4-amino-3-trifluoromethyl-benzoic acid methyl ester

Chemical Property:

• Vapor Pressure: 0.000808mmHg at 25°C
• Refractive Index: 1.491
• Boiling Point: 305.7°Cat760mmHg
• PKA: -0.67±0.10(Predicted)
• Flash Point: 138.7°C
• PSA: 52.32000
• Density: 1.343g/cm³
• LogP: 2.65540
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature

Purity/Quality:

98% purity ^*data from raw suppliers

Methyl4-amino-3-(trifluoromethyl)benzoate 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-amino-3-trifluoromethyl-benzoic acid methyl ester

There total 5 articles about 4-amino-3-trifluoromethyl-benzoic acid methyl 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: 98.0%

4-nitro-3-(trifluoromethyl)benzoic acid methyl ester (957207-00-0) → methyl 4-amino-3-(trifluoromethyl)benzoate (167760-75-0)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; at 20 ℃; for 2h; under 1275.13 Torr;

Reference yield: 82.0%

4-amino-3-(trifluoromethyl)benzoic acid (400-76-0) + diazomethyl-trimethyl-silane (18107-18-1) → methyl 4-amino-3-(trifluoromethyl)benzoate (167760-75-0)

Guidance literature:

In tetrahydrofuran; methanol; at 20 ℃;

Reference yield: 76.0%

Togni's reagent II (887144-94-7) + 4-methoxycarbonyl aniline (619-45-4) → methyl 4-amino-3-(trifluoromethyl)benzoate (167760-75-0)

Guidance literature:

With fluorescein; In water; N,N-dimethyl-formamide; at 20 ℃; for 6h; Concentration; Reagent/catalyst; Irradiation;

upstream raw materials:

methanol

4-cyano-2-trifluoromethylaniline

4-nitro-3-(trifluoromethyl)benzoic acid methyl ester

Togni's reagent II

Downstream raw materials:

4-bromo-3-trifluoromethylbenzoic acid methyl ester

methyl 4-hydrazino-3-trifluoromethyl-benzoate hydrochloride

Refernces

• 1、 -. "ISOXAZOLYL-CARBONYLOXY AZABICYCLO[3.2.1]OCTANYL COMPOUNDS AS FXR ACTIVATORS". Paragraph 00335. . Retrieved 2018/09/25.
• 2、 -. "A for the preparation of ortho-trifluoromethyl-aniline or its derivatives (by machine translation)". Paragraph 0023-0024. . Retrieved 2016/10/24.