2-(Bromomethyl)-5-(methylsulphonyl)benzotrifluoride

Base Information

• Chemical Name: 2-(Bromomethyl)-5-(methylsulphonyl)benzotrifluoride
• CAS No.: 934557-65-0
• Molecular Formula: C9H8BrF3O2S
• Molecular Weight: 317.127
• Hs Code.: 2904909090
• Mol file: 934557-65-0.mol

Synonyms:2-(Bromomethyl)-5-(methylsulphonyl)benzotrifluoride;4-(Methylsulphonyl)-2-(trifluoromethyl)benzyl bromide 98%;2-(Bromomethyl)-5-(methylsulphonyl)benzotrifluoride, 1-(Bromomethyl)-4-(methylsulphonyl)-2-(trifluoromethyl)benzene, 4-(Bromomethyl)-3-(trifluoromethyl)phenyl methyl sulphone;4-(Methylsulphonyl)-2-(trifluoromethyl)benzylbromide98%

Chemical Property of 2-(Bromomethyl)-5-(methylsulphonyl)benzotrifluoride

Chemical Property:

• Boiling Point: 360.6±42.0 °C(Predicted)
• PSA: 42.52000
• Density: 1.632±0.06 g/cm3(Predicted)
• LogP: 4.08460

Purity/Quality:

98% ^*data from raw suppliers

4-(Methylsulfonyl)-2-(trifluoromethyl)benzyl bromide 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-(Bromomethyl)-5-(methylsulphonyl)benzotrifluoride

There total 7 articles about 2-(Bromomethyl)-5-(methylsulphonyl)benzotrifluoride 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: 80.0%

(4-(methylsulfonyl)-2-(trifluoromethyl)phenyl)methanol (1215323-17-3) → 1-(bromomethyl)-4-(methylsulfonyl)-2-(trifluoromethyl)benzene (934557-65-0)

Guidance literature:

With phosphorus tribromide; In dichloromethane; at 0 ℃; for 4h;

Reference yield:

2-(trifluoromethyl)-4-fluorobenzaldehyde (90176-80-0) → 1-(bromomethyl)-4-(methylsulfonyl)-2-(trifluoromethyl)benzene (934557-65-0)

Guidance literature:

Multi-step reaction with 4 steps

1: N,N-dimethyl-formamide / 2 h / 90 °C

2: sodium tetrahydroborate; methanol / 2 h / 20 °C

3: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 20 °C

4: phosphorus tribromide / dichloromethane / 4 h / 0 °C

With methanol; sodium tetrahydroborate; phosphorus tribromide; 3-chloro-benzenecarboperoxoic acid; In dichloromethane; N,N-dimethyl-formamide;

Reference yield:

4-(methylsulfonyl)-2-(trifluoromethyl)benzaldehyde oxime (1215310-75-0) → 1-(bromomethyl)-4-(methylsulfonyl)-2-(trifluoromethyl)benzene (934557-65-0)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium tetrahydroborate / ethanol / 16 h / 0 - 20 °C

2: phosphorus tribromide / diethyl ether / 0 - 20 °C

With sodium tetrahydroborate; phosphorus tribromide; In diethyl ether; ethanol;

DOI:10.1021/acsmedchemlett.7b00157

upstream raw materials:

(4-(methylsulfonyl)-2-(trifluoromethyl)phenyl)methanol

2-(trifluoromethyl)-4-fluorobenzaldehyde

4-methylsulfanyl-2-(trifluoromethyl)benzaldehyde

(4-Methylsulfanyl-2-trifluoromethyl-phenyl)-methanol

Downstream raw materials:

1-(4-methanesulfonyl-2-(trifluoromethyl)benzyl)-1H-indazole-5-carbaldehyde

2-[2-methyl-1-[[4-methylsulfonyl-2-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-yl]acetic acid

Refernces

• 1、 Singh,Saroj,Kumar,Kuhad,Kuhad. "Fevipiprant selective prostaglandin DP2 (CRTh2) inhibitor treatment of asthma". . p. 565 - 572. Retrieved 2018/09/11.
• 2、 -. "SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS". Page/Page column 151. . Retrieved 2011/06/28.