methyl 1-(trifluoromethyl)isoquinoline-3-carboxylate

Base Information

• Chemical Name: methyl 1-(trifluoromethyl)isoquinoline-3-carboxylate
• CAS No.: 1006707-71-6
• Molecular Formula: C12H8F3NO2
• Molecular Weight: 255.196
• Hs Code.: 2933499090
• Mol file: 1006707-71-6.mol

Synonyms:methyl 1-(trifluoromethyl)isoquinoline-3-carboxylate

Chemical Property of methyl 1-(trifluoromethyl)isoquinoline-3-carboxylate

Chemical Property:

• PSA: 39.19000
• LogP: 3.04020

Purity/Quality:

97% ^*data from raw suppliers

Methyl 1-(trifluoromethyl)isoquinoline-3-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of methyl 1-(trifluoromethyl)isoquinoline-3-carboxylate

There total 2 articles about methyl 1-(trifluoromethyl)isoquinoline-3-carboxylate 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: 57.0%

methyl 2-(trifluoroacetamido)acrylate (58137-35-2) + 2-(trimethylsilyl)phenyl trifluoromethanesulfonate (88284-48-4) → methyl 1-(trifluoromethyl)isoquinoline-3-carboxylate (1006707-71-6)

Guidance literature:

With tetrabutylammonium triphenyldifluorosilicate; In tetrahydrofuran; at 23 ℃;

DOI:10.1021/ja0780582

Reference yield: 50.0%

Umemoto's reagent + methyl 2-isocyano-3-phenylacrylate → methyl 1-(trifluoromethyl)isoquinoline-3-carboxylate (1006707-71-6)

Guidance literature:

With disodium hydrogenphosphate; (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; In methanol; at 20 ℃; for 4h; regiospecific reaction; Irradiation; Inert atmosphere;

DOI:10.1002/adsc.201400504

Reference yield: 33.0%

methyl 1-(trifluoromethyl)isoquinoline-3-carboxylate (1006707-71-6) + (S)-3-(1-(4-methyl-4H-1,2,4-triazol-3-ylthio)ethyl)aniline → (S)-N-(3-(1-((4-methyl-4H-1,2,4-triazol-3-yl)thio)ethyl)phenyl)-1-(trifluoromethyl)isoquinoline-3-carboxamide

Guidance literature:

(S)-3-(1-(4-methyl-4H-1,2,4-triazol-3-ylthio)ethyl)aniline; With trimethylaluminum; In tetrahydrofuran; toluene; at 0 - 20 ℃;

methyl 1-(trifluoromethyl)isoquinoline-3-carboxylate; In tetrahydrofuran; toluene; at 40 ℃; for 16h;

upstream raw materials:

methyl 2-(trifluoroacetamido)acrylate

2-(trimethylsilyl)phenyl trifluoromethanesulfonate