Methyl 4-trifluoromethylbenzoate

Base Information

• Chemical Name: Methyl 4-trifluoromethylbenzoate
• CAS No.: 2967-66-0
• Molecular Formula: C9H7F3O2
• Molecular Weight: 204.149
• Hs Code.: 29163990
• Mol file: 2967-66-0.mol

Synonyms:p-Toluicacid, a,a,a-trifluoro-, methyl ester (6CI,8CI);4-trifluoromethylbenzoic acid methylester;Methyl 4-(trifluoromethyl)benzoate;Methyl p-(trifluoromethyl)benzoate;methyl 4-(trifluoromethyl)benzoate;Benzoic acid, 4-(trifluoromethyl)-, methyl ester;

Chemical Property of Methyl 4-trifluoromethylbenzoate

Chemical Property:

• Appearance/Colour: clear colorless to very pale yellow liquid
• Vapor Pressure: 0.346mmHg at 25°C
• Melting Point: 13-14 °C(lit.)
• Refractive Index: n20/D 1.451(lit.)
• Boiling Point: 199.2 °C at 760 mmHg
• Flash Point: 82.2 °C
• PSA: 26.30000
• Density: 1.269 g/cm³
• LogP: 2.49200
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)

Purity/Quality:

99% ^*data from raw suppliers

Methyl 4-(Trifluoromethyl)benzoate ^*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

Useful:

Technology Process of Methyl 4-trifluoromethylbenzoate

There total 95 articles about Methyl 4-trifluoromethylbenzoate 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: 99.4%

methanol (67-56-1) + 4-trifluoromethyl-benzoyl fluoride (368-94-5) → methyl 4-(trifluoromethyl)benzoate (2967-66-0)

Guidance literature:

at 42 - 65 ℃; for 6h;

Reference yield: 94.0%

methanol (67-56-1) + 4-trifluoromethylbenzoic acid (455-24-3) → methyl 4-(trifluoromethyl)benzoate (2967-66-0)

Guidance literature:

With sulfuric acid; for 10h; Reflux; Sealed tube;

DOI:10.1002/adsc.201300566

Reference yield: 90.0%

Togni's reagent (887144-97-0) + 4-methoxycarbonylphenylboronic acid (99768-12-4) → methyl 4-(trifluoromethyl)benzoate (2967-66-0)

Guidance literature:

With copper(l) iodide; 1,10-Phenanthroline; potassium carbonate; In diethylene glycol dimethyl ether; at 35 ℃; for 14h; Inert atmosphere;

DOI:10.1021/ol2005903

upstream raw materials:

diazomethane

4-trifluoromethylbenzoic acid

methanol

4-Trifluoromethylbenzaldehyde

Downstream raw materials:

acetophenone

α,α-<2H2>p-trifluoromethylbenzyl alcohol

4,4'-bis(trifluoromethyl)benzil

ω-cyano-4-trifluoromethylacetophenone

Refernces

• 1、 Akiyama, Takahiko,Ishikawa, Taisuke,Kamiyama, Nanami,Uchikura, Tatsuhiro. "Catalytic trifluoromethylation of iodoarenes by use of 2-trifluoromethylated benzimidazoline as trifluoromethylating reagent". . p. 2442 - 2447. Retrieved 2020.
• 2、 Yu, Zhiqun,Yao, Hongmiao,Xu, Qilin,Liu, Jiming,Le, Xingmao,Ren, Minna. "Br?nsted acid-catalyzed chlorination of aromatic carboxylic acids". . p. 685 - 689. Retrieved 2021/04/09.
• 3、 Xu, Jin-Di,Su, Xiao-Bo,Wang, Cai,Yao, Li-Wei,Liu, Jing-Hui,Hu, Guo-Qin. "Mild Copper-Catalyzed Addition of Arylboronic Esters to Di- tert -butyl Dicarbonate: An Easy Access to Methyl Arylcarboxylates". supporting information. p. 833 - 837. Retrieved 2021/02/26.