2,2,2-Trifluoroethyl trichloromethanesulfonate

Base Information

• Chemical Name: 2,2,2-Trifluoroethyl trichloromethanesulfonate
• CAS No.: 23199-56-6
• Molecular Formula: C3H2Cl3F3O3S
• Molecular Weight: 281.467
• Hs Code.: 2905590090
• European Community (EC) Number: 245-484-6
• DSSTox Substance ID: DTXSID70177778
• Nikkaji Number: J318.423D
• Wikidata: Q83048120
• Mol file: 23199-56-6.mol

Synonyms:23199-56-6;2,2,2-trifluoroethyl trichloromethanesulfonate;2,2,2-Trifluoroethyl trichloromethanesulphonate;2,2,2-Trifluoroethyl trichloromethane-sulfonate;2,2,2-trifluoroethyltrichloromethanesulfonate;EINECS 245-484-6;trichloromethanesulfonic acid 2,2,2-trifluoroethyl ester;Methanesulfonic acid, trichloro-, 2,2,2-trifluoroethyl ester;C3H2Cl3F3O3S;SCHEMBL55106;DTXSID70177778;C3-H2-Cl3-F3-O3-S;Methanesulfonic acid, 1,1,1-trichloro-, 2,2,2-trifluoroethyl ester;Methanesulfonic acid,1,1,1-trichloro-, 2,2,2-trifluoroethyl ester;MFCD00042400;trifluoroethyl trichloromethylsulfonate;AKOS015848706;trifluoroethyl trichloromethanesulphonate;AS-10559;A4901;FT-0609041;1,1,1-trifluoroethyl trichloromethanesulfonate;2,2,2-trifluoroethyl trichloromethylsulfonate;2,2,2-trifluoroethyltrichloromethane sulfonate;2,2,2,-trifluoroethyl trichloromethanesulfonate;2,2,2-Trifluoroethyl trichlorometanesulphonate;2,2,2-Trifluoroethyl trichloromethane sulfonate;2,2,2-trifluoroethyltrichloromethane sulphonate;2,2,2,-trifluoroethyl trichloromethane sulfonate;A816620;2,2,2-tris(fluoranyl)ethyl tris(chloranyl)methanesulfonate;trichloro-methanesulfonic acid 2,2,2-trifluoro-ethyl ester;Methanesulfonic acid,1,1,1-trichloro-,2,2,2-trifluoroethyl ester

Chemical Property of 2,2,2-Trifluoroethyl trichloromethanesulfonate

Chemical Property:

• Melting Point: -70°C
• Refractive Index: 1.4238
• Boiling Point: 233 °C at 760 mmHg
• Flash Point: 94.7 °C
• PSA: 51.75000
• Density: 1.803 g/cm³
• LogP: 3.30360
• Sensitive.: Moisture Sensitive
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 279.874233
• Heavy Atom Count: 13
• Complexity: 260

Purity/Quality:

99% ^*data from raw suppliers

2,2,2-Trifluoroethyl trichloromethanesulfonate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(C(F)(F)F)OS(=O)(=O)C(Cl)(Cl)Cl

Technology Process of 2,2,2-Trifluoroethyl trichloromethanesulfonate

There total 2 articles about 2,2,2-Trifluoroethyl trichloromethanesulfonate 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:

Trichloromethanesulfonyl chloride (2547-61-7) + 2,2,2-trifluoroethanol (75-89-8) → 2,2,2-trifluoroethyltrichloromethanesulfonate (23199-56-6)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/jm00270a008

Reference yield:

→ 2,2,2-trifluoroethyltrichloromethanesulfonate (23199-56-6)

Guidance literature:

entspr. Alkohol, Sulfonylchlorid;

Reference yield: 100.0%

2,2,2-trifluoroethyltrichloromethanesulfonate (23199-56-6) + tert-butyl [(3R,6S)-6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]carbamate (781650-32-6) → tert-butyl [(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]carbamate

Guidance literature:

tert-butyl [(3R,6S)-6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]carbamate; With sodium hydride; In N,N-dimethyl-formamide; mineral oil;

2,2,2-trifluoroethyltrichloromethanesulfonate; In N,N-dimethyl-formamide; for 2h;

DOI:10.1021/ol8011524

upstream raw materials:

Trichloromethanesulfonyl chloride

2,2,2-trifluoroethanol

Downstream raw materials:

4-chloro-N-(2,2,2-trifluoroethyl)benzenamine

5-chloro-2-[(2,2,2-trifluoroethyl)amino]benzophenone

4-nitro-N-(2,2,2-trifluoroethyl)aniline

5-chloro-2'-fluoro-2-(N-(2,2,2-trifluoroethyl)amino)benzophenon

Refernces

• 1、 -. "1-POLYHALOGENOALKYL-2-OXO-1,3-DIHYDRO-2H-1,4-BENZODIAZEPINES". . . Retrieved 2014/02/11.