4-TRIFLUOROMETHYLBENZYLSULFONYL CHLORIDE

Base Information

• Chemical Name: 4-TRIFLUOROMETHYLBENZYLSULFONYL CHLORIDE
• CAS No.: 163295-75-8
• Molecular Formula: C8H6 Cl F3 O2 S
• Molecular Weight: 258.649
• Hs Code.: 29049090
• European Community (EC) Number: 623-880-3
• DSSTox Substance ID: DTXSID20344079
• Wikidata: Q82115735
• Mol file: 163295-75-8.mol

Synonyms:(4-Trifluoromethylphenyl)methanesulfonylchloride; 1-[4-(Trifluoromethyl)phenyl]methanesulfonyl chloride;4-(Trifluoromethyl)benzenemethanesulfonyl chloride

Chemical Property of 4-TRIFLUOROMETHYLBENZYLSULFONYL CHLORIDE

Chemical Property:

• Melting Point: 103-105°C
• Boiling Point: 293.5°Cat760mmHg
• Flash Point: 131.3°C
• PSA: 42.52000
• Density: 1.506g/cm³
• LogP: 3.85480
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 257.9729128
• Heavy Atom Count: 15
• Complexity: 299

Purity/Quality:

98%,99%, ^*data from raw suppliers

[4-(Trifluoromethyl)phenyl]methanesulfonylChloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 22-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1CS(=O)(=O)Cl)C(F)(F)F

Technology Process of 4-TRIFLUOROMETHYLBENZYLSULFONYL CHLORIDE

There total 6 articles about 4-TRIFLUOROMETHYLBENZYLSULFONYL CHLORIDE 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:

S-(4-trifluoromethylbenzyl)isothiourea hydrochloride (477708-87-5) → (4-trifluoromethylphenyl)methanesulfonyl chloride (163295-75-8)

Guidance literature:

With hydrogenchloride; N-chloro-succinimide; In acetonitrile; at 10 - 20 ℃; for 0.333333h;

DOI:10.1021/acs.jmedchem.8b01971

Reference yield:

4-trifluoromethylbenzyl chloride (939-99-1) → (4-trifluoromethylphenyl)methanesulfonyl chloride (163295-75-8)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium sulfite / ethanol; water / 18 h / Reflux

2: phosphorus pentachloride / dichloromethane; N,N-dimethyl-formamide / 16 h / 20 °C

With phosphorus pentachloride; sodium sulfite; In ethanol; dichloromethane; water; N,N-dimethyl-formamide;

DOI:10.1002/ejoc.201701766

Reference yield:

4-bromomethyltrifluoromethylbenzene (402-49-3) → (4-trifluoromethylphenyl)methanesulfonyl chloride (163295-75-8)

Guidance literature:

With sodium sulfite; In water; at 80 ℃; for 4h;

DOI:10.1021/acscatal.7b01669

upstream raw materials:

water

4-trifluoromethylbenzyl chloride

4-bromomethyltrifluoromethylbenzene

C₈H₆F₃O₃S^(1-)*Na⁽¹⁺⁾

Downstream raw materials:

(R)-1-(1H-indol-3-yl)-2-(4-trifluoromethylphenylmethanesulfonyl)-1,2,3,4-tetrahydroisoquinoline

N-(quinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide

Refernces

• 1、 Fang, Sen-Biao,Li, Hui-Jing,Nan, Xiang,Wu, Rui,Wu, Yan-Chao,Zhang, Jing,Zhang, Zhi-Zhou. "Design, synthesis and biological evaluation of novel N-sulfonylamidine-based derivatives as c-Met inhibitors via Cu-catalyzed three-component reaction". . . Retrieved 2020/06/04.
• 2、 Nan, Xiang,Jiang, Yi-Fan,Li, Hui-Jing,Wang, Jun-Hu,Wu, Yan-Chao. "Design, synthesis and evaluation of sulfonylurea-containing 4-phenoxyquinolines as highly selective c-Met kinase inhibitors". supporting information. p. 2801 - 2812. Retrieved 2019/05/15.