2-Nitro-4-trifluoromethylbenzoic acid

Base Information

• Chemical Name: 2-Nitro-4-trifluoromethylbenzoic acid
• CAS No.: 320-94-5
• Molecular Formula: C8H4F3NO4
• Molecular Weight: 235.119
• Hs Code.: 29163990
• Mol file: 320-94-5.mol

Synonyms:p-Toluicacid, a,a,a-trifluoro-2-nitro- (7CI,8CI);2-Nitro-4-(trifluoromethyl)benzoic acid;4-(Trifluoromethyl)-2-nitrobenzoic acid;a,a,a-Trifluoro-2-nitro-p-toluic acid;

Chemical Property of 2-Nitro-4-trifluoromethylbenzoic acid

Chemical Property:

• Appearance/Colour: Yellowish crystal
• Vapor Pressure: 0.000333mmHg at 25°C
• Melting Point: 134-138 °C
• Boiling Point: 306.6 °C at 760 mmHg
• PKA: 1.70±0.25(Predicted)
• Flash Point: 139.2 °C
• PSA: 83.12000
• Density: 1.596 g/cm³
• LogP: 2.83500
• Storage Temp.: Refrigerator
• Solubility.: DMSO, Methanol

Purity/Quality:

99% ^*data from raw suppliers

2-Nitro-4-(trifluoromethyl)benzoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Uses: 2-Nitro-4-(trifluoromethyl)benzoic Acid (cas# 320-94-5) is a compound useful in organic synthesis.

Technology Process of 2-Nitro-4-trifluoromethylbenzoic acid

There total 8 articles about 2-Nitro-4-trifluoromethylbenzoic 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: 97.0%

4-(trifluoromethyl)-2-nitrobenzaldehyde (109466-87-7) → 2-nitro-4-trifluoromethylbenzoic acid (320-94-5)

Guidance literature:

With chlorine[2-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxypyridine](pentamethylcyclopentadienyl)iridium(III) chloride; sodium hydroxide; In water; at 80 ℃; for 12h; chemoselective reaction;

DOI:10.1021/acs.organomet.7b00634

Reference yield: 88.0%

2-nitro-1-(nitromethyl)-4-(trifluoromethyl)benzene → 2-nitro-4-trifluoromethylbenzoic acid (320-94-5)

Guidance literature:

With dihydrogen peroxide; potassium carbonate; In dimethyl sulfoxide; at 70 ℃; for 1h;

Reference yield: 82.0%

2-nitro-4-trifluoromethyl-benzonitrile (778-94-9) → 2-nitro-4-trifluoromethylbenzoic acid (320-94-5)

Guidance literature:

With hydrogen bromide; Inert atmosphere;

DOI:10.1002/ejoc.201200118

upstream raw materials:

2-nitro-4-trifluoromethyl-benzonitrile

4-trifluoromethylbenzoic acid

4-(trifluoromethyl)-2-nitrobenzaldehyde

2-chloro-3-nitro-5-trifluoromethylbenzene

Downstream raw materials:

2-nitro-4-trifluoromethyl-benzoyl chloride

N-[(3S,4R)-3-Hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-chroman-4-yl]-4-trifluoromethyl-2-nitrobenzamide

methyl 2-(acetylamino)-4-(trifluoromethyl)benzoate

methyl 2,3-diamino-4-(trifluoromethyl)benzoate

Refernces

• 1、 Yang, Zhanhui,Luo, Renshi,Zhu, Zhongpeng,Yang, Xuerong,Tang, Weiping. "Harnessing the Reactivity of Iridium Hydrides by Air: Iridium-Catalyzed Oxidation of Aldehydes to Acids in Water". supporting information. p. 4095 - 4098. Retrieved 2017/11/21.
• 2、 Suez, Gal,Bloch, Victoria,Nisnevich, Gennady,Gandelman, Mark. "Design and development of bioinspired guanine-based organic catalyst for asymmetric catalysis". supporting information; scheme or table. p. 2118 - 2122. Retrieved 2012/06/01.