2,2,2-Trifluoroethanesulfonyl chloride

Base Information

• Chemical Name: 2,2,2-Trifluoroethanesulfonyl chloride
• CAS No.: 1648-99-3
• Molecular Formula: C2H2ClF3O2S
• Molecular Weight: 182.551
• Hs Code.: 29049090
• European Community (EC) Number: 216-713-7
• DSSTox Substance ID: DTXSID00167809
• Nikkaji Number: J195.283H
• Wikidata: Q83037288
• Mol file: 1648-99-3.mol

Synonyms:2,2,2-trifluoroethanesulfonyl chloride;tresyl chloride

Chemical Property of 2,2,2-Trifluoroethanesulfonyl chloride

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 5.59mmHg at 25°C
• Refractive Index: n20/D 1.388(lit.)
• Boiling Point: 147.5 °C at 760 mmHg
• Flash Point: 72.2 °C
• PSA: 42.52000
• Density: 1.654 g/cm³
• LogP: 2.19810
• Storage Temp.: 2-8°C
• Sensitive.: moisture sensitive
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 181.9416127
• Heavy Atom Count: 9
• Complexity: 175

Purity/Quality:

99% ^*data from raw suppliers

2,2,2-Trifluoroethanesulfonyl chloride ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2,2,2-Trifluoroethanesulfonyl chloride

There total 10 articles about 2,2,2-Trifluoroethanesulfonyl 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: 67.0%

2,2,2-trifluoroethylthiomethylbenzene (77745-03-0) → 2,2,2-Trifluoroethanesulfonyl chloride (1648-99-3)

Guidance literature:

With chlorine; In hydrogenchloride; at -30 - -25 ℃; for 0.5h;

Reference yield: 61.0%

2-Methyl-2-(2,2,2-trifluoro-ethylsulfanyl)-propane (77745-01-8) → 2,2,2-Trifluoroethanesulfonyl chloride (1648-99-3)

Guidance literature:

With chlorine; In water; at -5 - 0 ℃; Further byproducts given. Title compound not separated from byproducts; oxidative chlorination;

DOI:10.1021/jo00329a039

Reference yield: 57.0%

2,2,2-trifluoroethylthiomethylbenzene (77745-03-0) → 2,2,2-Trifluoroethanesulfonyl chloride (1648-99-3) + benzyl chloride (100-44-7)

Guidance literature:

With chlorine; In water; at -5 - 0 ℃; Title compound not separated from byproducts;

DOI:10.1021/jo00329a039

upstream raw materials:

di-H-trifluoroethane-2-sulfonyl fluoride

2,2,2-Trifluoroethyl thiocyanate

2,2,2-trifluoroethanethiol

2,2,2-trifluoroethylthiomethylbenzene

Downstream raw materials:

C₁₀H₁₂F₃NO₄S₂

C₉H₉BrF₃NO₄S₂

C₁₀H₁₁BrF₃NO₄S₂

1,4-butanediol bis(2,2,2-trifluoroethanesulfonate)

Refernces

Synthesis of analogues of the calicheamicin γ₁(I) oligosaccharide as potential DNA ligands

10.1016/S0040-4039(98)02135-2

The research aimed to chemically synthesize two analogues of the calicheamicin oligosaccharide, which is crucial for drug-DNA interaction and the selectivity and specificity of DNA cleavage. The study focused on the roles of carbohydrate rings D and E, the aromatic ring-C, and the β-N-O glycosidic bond on DNA-drug recognition events. The researchers reported the total synthesis of oligosaccharides 1 and 2, which replaced carbohydrate ring E with a basic chain E', either with or without the rhamnopyranosyl unit D. Key chemicals used in the synthesis process included 2,2,2-trifluoroethanesulfonyl chloride, benzoyl chloride, trifluoroethanesulfonate ester, 1,4-dibromobutane, sodium hydride, ethylamine, Fmoc-protected amine, sodium borohydride, boron trifluoride, and various other reagents and solvents. The synthesized oligosaccharides showed some binding to double-stranded DNA, but solubility issues prevented a detailed study. The work was financially supported by the Ministère de l'Enseignement Supérieur et de la Recherche and involved collaboration with experts in the field.

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