5-nitro-2-(trifluoroMethyl)benzoic acid

Base Information

• Chemical Name: 5-nitro-2-(trifluoroMethyl)benzoic acid
• CAS No.: 847547-06-2
• Molecular Formula: C8H4F3NO4
• Molecular Weight: 235.119
• Hs Code.: 2916399090
• Mol file: 847547-06-2.mol

Synonyms:CL9048;5-Nitro-2-trifluoromethylbenzoic acid;

Chemical Property of 5-nitro-2-(trifluoroMethyl)benzoic acid

Chemical Property:

• Boiling Point: 333.8±42.0 °C(Predicted)
• PKA: 2.61±0.22(Predicted)
• PSA: 83.12000
• Density: 1.596±0.06 g/cm3(Predicted)
• LogP: 2.83500
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

≥95% ^*data from raw suppliers

5-Nitro-2-(trifluoromethyl)benzoic acid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-nitro-2-(trifluoroMethyl)benzoic acid

There total 1 articles about 5-nitro-2-(trifluoroMethyl)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: 96.0%

2-methyl-4-nitro-1-(trifluoromethyl)benzene (1960-52-7) → 5-nitro-2-(trifluoromethyl)benzoic acid (847547-06-2)

Guidance literature:

With chromium(VI) oxide; periodic acid; In acetonitrile; at 20 ℃;

Reference yield: 98.6%

5-nitro-2-(trifluoromethyl)benzoic acid (847547-06-2) → 5-amino-2-(trifluoromethyl)benzoic acid

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethyl acetate; at 20 ℃; for 16h; under 760.051 Torr;

Reference yield: 90.0%

4-ethylpiperazine (5308-25-8) + 5-nitro-2-(trifluoromethyl)benzoic acid (847547-06-2) → (4-ethyl-piperazin-1-yl)-(5-nitro-2-trifluoromethyl-phenyl)-methanone (1609677-81-7)

Guidance literature:

With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; at 20 ℃; for 2h;

upstream raw materials:

2-methyl-4-nitro-1-(trifluoromethyl)benzene

Downstream raw materials:

benzyl 5-nitro-2-(trifluoromethyl)benzoate

benzyl 5-amino-2-(trifluoromethyl)benzoate

benzyl 5-(methylsulfonamido)-2-(trifluoromethyl)benzoate

(5-amino-2-trifluoromethyl-phenyl)-(4-ethyl-piperazin-1-yl)-methanone

Refernces

• 1、 -. "SUBSTITUTED PYRIMIDINYL AND PYRIDINYL-PYRROLOPYRIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS". Page/Page column 49; 50. . Retrieved 2014/05/24.