5-(TRIFLUOROMETHYL)ISOINDOLINE

Base Information

• Chemical Name: 5-(TRIFLUOROMETHYL)ISOINDOLINE
• CAS No.: 342638-03-3
• Molecular Formula: C9H8F3N
• Molecular Weight: 187.164
• Hs Code.: 2933990090
• Mol file: 342638-03-3.mol

Synonyms:5-(TRIFLUOROMETHYL)ISOINDOLINE;5-(trifluoroMethyl)-2,3-dihydro-1H-isoindole;5-TrifluoroMethyl-2,3-dihydro-1H-isoindole.HCl

Chemical Property of 5-(TRIFLUOROMETHYL)ISOINDOLINE

Chemical Property:

• Vapor Pressure: 0.395mmHg at 25°C
• Boiling Point: 196.6°C at 760 mmHg
• PKA: 7.97±0.20(Predicted)
• Flash Point: 72.7°C
• PSA: 12.03000
• Density: 1.264g/cm³
• LogP: 2.63740

Purity/Quality:

97% ^*data from raw suppliers

5-(trifluoromethyl)isoindoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-(TRIFLUOROMETHYL)ISOINDOLINE

There total 5 articles about 5-(TRIFLUOROMETHYL)ISOINDOLINE 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: 65.0%

2-(toluene-4-sulfonyl)-5-trifluoromethyl-2,3-dihydro-1H-isoindole (342638-02-2) → 5-trifluoromethyl-2,3-dihydro-1H-isoindole (342638-03-3)

Guidance literature:

With hydrogen bromide; propionic acid; phenol; at 150 ℃; for 6h;

DOI:10.1016/S0960-894X(01)00037-3

Reference yield:

2-(p-toluenesulfonyl)-5-bromoisoindoline (127168-85-8) → 5-trifluoromethyl-2,3-dihydro-1H-isoindole (342638-03-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / CuI / dimethylformamide; toluene / 1.5 h / 110 °C

2: 65 percent / aq. HBr; PhOH; EtCO₂H / 6 h / 150 °C

With copper(l) iodide; hydrogen bromide; propionic acid; phenol; In N,N-dimethyl-formamide; toluene;

DOI:10.1016/S0960-894X(01)00037-3

Reference yield:

5-trifluoromethylphthalimide (1997-41-7) → 5-trifluoromethyl-2,3-dihydro-1H-isoindole (342638-03-3)

Guidance literature:

With borane; In tetrahydrofuran;

DOI:10.1016/j.bmcl.2008.05.079

upstream raw materials:

2-(toluene-4-sulfonyl)-5-trifluoromethyl-2,3-dihydro-1H-isoindole

5-trifluoromethylbenzofuran-1,3-dione

2-(p-toluenesulfonyl)-5-bromoisoindoline

5-trifluoromethylphthalimide

Downstream raw materials:

{4-[2-(5-trifluoromethyl-1,3-dihydro-isoindol-2-yl)-ethyl]-cyclohexyl}-carbamic acid tert-butyl ester

4-[2-(5-trifluoromethyl-1,3-dihydro-isoindol-2-yl)-ethyl]-cyclohexylamine

1-{2-oxo-2-[5-(trifluoromethyl)-1,3-dihydro-2H-isoindol-2-yl]ethyl}-3,3-diphenylpyrrolidin-2-one