(4-Chlorophenyl)(3-methyl-2-(trifluoromethyl)-1H-indol-1-yl)methanone

Base Information

• Chemical Name: (4-Chlorophenyl)(3-methyl-2-(trifluoromethyl)-1H-indol-1-yl)methanone
• CAS No.: 913955-36-9
• Molecular Formula: C17H11ClF3NO
• Molecular Weight: 337.72
• Hs Code.: 2933990090
• Mol file: 913955-36-9.mol

Synonyms:1H-Indole,1-(4-chlorobenzoyl)-3-methyl-2-(trifluoromethyl)- (9CI);methanone, (4-chlorophenyl)[3-methyl-2-(trifluoromethyl)-1H-indol-1-yl]-;

Chemical Property of (4-Chlorophenyl)(3-methyl-2-(trifluoromethyl)-1H-indol-1-yl)methanone

Chemical Property:

• Refractive Index: 1.571
• Boiling Point: 361.4 °C at 760 mmHg
• Flash Point: 172.4 °C
• PSA: 22.00000
• Density: 1.34 g/cm³
• LogP: 5.31040

Purity/Quality:

98%min ^*data from raw suppliers

(4-CHLOROPHENYL)(3-METHYL-2-(TRIFLUOROMETHYL)-1H-INDOL-1-YL)METHANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (4-Chlorophenyl)(3-methyl-2-(trifluoromethyl)-1H-indol-1-yl)methanone

There total 5 articles about (4-Chlorophenyl)(3-methyl-2-(trifluoromethyl)-1H-indol-1-yl)methanone 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: 93.0%

3-methyl-2-(trifluoromethyl)-1H-indole (913955-35-8) + 4-chlorobenzaldehyde (104-88-1) → (4-chloro-phenyl)[3-methyl-2-(trifluoromethyl)-1H-indol-1-yl]-methanone (913955-36-9)

Guidance literature:

With sodium hydride; dimethyl sulfoxide; In tetrahydrofuran; at 20 ℃; for 2h;

DOI:10.1016/j.jfluchem.2007.04.023

Reference yield: 93.0%

3-methyl-2-(trifluoromethyl)-1H-indole (913955-35-8) + 4-chloro-benzoyl chloride (122-01-0) → (4-chloro-phenyl)[3-methyl-2-(trifluoromethyl)-1H-indol-1-yl]-methanone (913955-36-9)

Guidance literature:

With sodium hydride; In tetrahydrofuran; N,N-dimethyl-formamide;

DOI:10.1055/s-2007-967950

Reference yield:

N-[2-(1-bromoethyl)phenyl]-2,2,2-trifluoroacetimidoyl chloride (913962-14-8) → (4-chloro-phenyl)[3-methyl-2-(trifluoromethyl)-1H-indol-1-yl]-methanone (913955-36-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 82 percent / magnesium / tetrahydrofuran / 2 h / 0 °C

2: 93 percent / NaH; Me₂SO / various solvent(s); tetrahydrofuran / 2 h / 20 °C

With sodium hydride; magnesium; dimethyl sulfoxide; In tetrahydrofuran; 1: Grignard cyclization reaction;

DOI:10.1016/j.jfluchem.2007.04.023

upstream raw materials:

3-methyl-2-(trifluoromethyl)-1H-indole

4-chloro-benzoyl chloride

4-chlorobenzaldehyde

N-[2-(1-bromoethyl)phenyl]-2,2,2-trifluoroacetimidoyl chloride

Downstream raw materials:

[3-(bromomethyl)-2-(trifluoromethyl)-1H-indol-1-yl](4-chlorophenyl)methanone

dimethyl-2-{[1-(4-chlorobenzoyl)-2-(trifluoromethyl)indol-3-yl]methyl}malonate

2-trifluoromethyl-indole-3-acetic acid