Benzoic acid, 2-amino-3,4,5-trifluoro- (9CI)

Base Information

• Chemical Name: Benzoic acid, 2-amino-3,4,5-trifluoro- (9CI)
• CAS No.: 531529-72-3
• Molecular Formula: C7H4F3NO2
• Molecular Weight: 191.1073696
• Hs Code.: 2922498590
• Mol file: 531529-72-3.mol

Synonyms:Benzoic acid, 2-amino-3,4,5-trifluoro- (9CI)

Chemical Property of Benzoic acid, 2-amino-3,4,5-trifluoro- (9CI)

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.553
• Boiling Point: 302.669°C at 760 mmHg
• PKA: 4.20±0.10(Predicted)
• Flash Point: 136.849°C
• PSA: 63.32000
• Density: 1.635g/cm³
• LogP: 1.96550
• Storage Temp.: 2-8°C

Purity/Quality:

98%min ^*data from raw suppliers

2-Amino-3,4,5-trifluorobenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzoic acid, 2-amino-3,4,5-trifluoro- (9CI)

There total 1 articles about Benzoic acid, 2-amino-3,4,5-trifluoro- (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: 70.0%

3,4,5-trifluoro-2-nitrobenzoic acid (121579-85-9) → 2-amino-3,4,5-trifluorobenzoic acid (531529-72-3)

Guidance literature:

With hydrogen; In methanol;

DOI:10.1134/S1070428009060190

Reference yield:

4-methoxy-aniline (104-94-9) + N-(tert-butoxycarbonyl)-D-proline (37784-17-1,59433-50-0) + 2-amino-3,4,5-trifluorobenzoic acid (531529-72-3) → C24H24F3N3O4

Guidance literature:

N-(tert-butoxycarbonyl)-D-proline; 2-amino-3,4,5-trifluorobenzoic acid; With pyridine; triphenyl phosphite; at 100 ℃; for 0.666667h;

4-methoxy-aniline; at 100 ℃; for 0.0166667h;

Reference yield:

2-amino-3,4,5-trifluorobenzoic acid (531529-72-3) → 9,10-difluoro-6-(4-methoxybenzyl)-2,2-dimethyl-2H-[1,4]oxazino[2,3,4-ij]quinazoline-5,7(3H,6H)-dione

Guidance literature:

Multi-step reaction with 5 steps

1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / dichloromethane; ethyl acetate / 3 h / 30 °C / Inert atmosphere

2: pyridine / 0 - 20 °C / Inert atmosphere

3: sodium hydroxide / 20 - 50 °C

4: yttrium(lll) nitrate hexahydrate / N,N-dimethyl-formamide / 2 h / 120 - 160 °C / Microwave irradiation

5: sodium hydride / tetrahydrofuran; mineral oil / 4 h / 20 °C / Inert atmosphere

With pyridine; yttrium(lll) nitrate hexahydrate; sodium hydride; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine; sodium hydroxide; In tetrahydrofuran; dichloromethane; ethyl acetate; N,N-dimethyl-formamide; mineral oil;

upstream raw materials:

3,4,5-trifluoro-2-nitrobenzoic acid

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