2-Propynoic acid, 3-[4-(trifluoromethyl)phenyl]-

Base Information

• Chemical Name: 2-Propynoic acid, 3-[4-(trifluoromethyl)phenyl]-
• CAS No.: 3792-88-9
• Molecular Formula: C10H5F3O2
• Molecular Weight: 214.144
• Mol file: 3792-88-9.mol

Synonyms:3-(4-trifluoromethylphenyl)propiolic acid;(4-trifluoromethylphenyl)-propynoic acid;(4-Trifluoromethyl-phenyl)-propynoic acid;3-(4-(trifluoromethyl)phenyl)propiolic acid;4-(trifluoromethyl)phenylpropiolic acid;(4-trifluoromethylphenyl)propiolic acid;3-(4-trifluoromethylphenyl)-2-propynoic acid;

Chemical Property of 2-Propynoic acid, 3-[4-(trifluoromethyl)phenyl]-

Chemical Property:

• Melting Point: 155 - 156 °C (hexane)
• PSA: 37.30000
• LogP: 2.14150

Purity/Quality:

95% ^*data from raw suppliers

3-[4-(trifluoromethyl)phenyl]prop-2-ynoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2-Propynoic acid, 3-[4-(trifluoromethyl)phenyl]-

There total 15 articles about 2-Propynoic acid, 3-[4-(trifluoromethyl)phenyl]- 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: 99.0%

carbon dioxide (124-38-9,18923-20-1) + 4-trifluoromethylphenylacetylene (705-31-7) → 3-[4-(trifluoromethyl)phenyl]-2-propynoic acid (3792-88-9)

Guidance literature:

With (4,7-diphenyl-1,10-phenanthroline)bis[tris(p-fluorophenyl)phosphine]copper(I) nitrate; caesium carbonate; In N,N-dimethyl-formamide; at 35 ℃; for 12h; under 3750.38 Torr;

DOI:10.1002/adsc.201000564

Reference yield: 99.0%

→ 3-[4-(trifluoromethyl)phenyl]-2-propynoic acid (3792-88-9)

Guidance literature:

With (4,7-diphenyl-1,10-phenanthroline)bis[tris(p-fluorophenyl)phosphine]copper(I) nitrate; caesium carbonate; In N,N-dimethyl-formamide; at 35 ℃; for 12h; under 3750.38 Torr;

Reference yield: 91.0%

ethyl 3-(4-(trifluoromethyl)phenyl)propiolate (337510-18-6) → 3-[4-(trifluoromethyl)phenyl]-2-propynoic acid (3792-88-9)

Guidance literature:

With sodium hydroxide; In water; for 4h; Inert atmosphere;

DOI:10.1021/acs.orglett.8b02663

upstream raw materials:

carbon dioxide

4-trifluoromethylphenylacetylene

1-(4-trifluoromethylphenyl)-2-trimethylsilylethyne

4-Iodobenzotrifluoride

Downstream raw materials:

3-(4-trifluoromethylphenyl)propynoic acid benzylisopropenylamide

diisopropyl ((4-(trifluoromethyl)phenyl)ethynyl)phosphonate

(E)-diphenyl(4-(trifluoromethyl)styryl)phosphine oxide

2,5-bis(4-(trifluoromethyl)phenyl)furan

Refernces

• 1、 Shi, Jun-Bin,Bu, Qingqing,Liu, Bin-Yuan,Dai, Bin,Liu, Ning. "Organocatalytic Strategy for the Fixation of CO2via Carboxylation of Terminal Alkynes". . p. 1850 - 1860. Retrieved 2021/01/14.
• 2、 Dong, Kaiwu,Li, Huimin,Ren, Xinyi,Shen, Chaoren,Tang, Lin,Wang, Peng. "Enantioselective hydroesterificative cyclization of 1,6-enynes to chiral γ-lactams bearing a quaternary carbon stereocenter". supporting information. p. 3561 - 3566. Retrieved 2021/05/29.