2,2-Difluoroethyl p-toluenesulfonate

Base Information

• Chemical Name: 2,2-Difluoroethyl p-toluenesulfonate
• CAS No.: 135206-84-7
• Molecular Formula: C9H10 F2 O3 S
• Molecular Weight: 236.239
• Hs Code.: 2904100090
• European Community (EC) Number: 809-947-1
• DSSTox Substance ID: DTXSID00382030
• Nikkaji Number: J2.779.898E
• Wikidata: Q82173311
• Mol file: 135206-84-7.mol

Synonyms:135206-84-7;2,2-Difluoroethyl p-toluenesulfonate;2,2-difluoroethyl 4-methylbenzenesulfonate;2,2-Difluoroethyl toluene-4-sulphonate;Ethanol, 2,2-difluoro-,1-(4-methylbenzenesulfonate);C9H10F2O3S;2,2-Difluoroethyltosylate;2,2-difluoroethyl 4-methylbenzene-1-sulfonate;SCHEMBL336511;DTXSID00382030;MFCD04038284;AKOS015840425;CS-W018381;2,2-difluoroethyl4-methylbenzenesulfonate;PS-10678;FT-0643231;2,2-Difluoroethyl (4-methylphenyl)sulphonate;EN300-71278;p-Toluenesulfonic acid 2,2-difluoroethyl ester;W18217;A806902

Chemical Property of 2,2-Difluoroethyl p-toluenesulfonate

Chemical Property:

• Boiling Point: 210.6°Cat760mmHg
• Flash Point: 78.8°C
• PSA: 51.75000
• Density: 1.166g/cm³
• LogP: 3.04620
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 236.03187167
• Heavy Atom Count: 15
• Complexity: 276

Purity/Quality:

97% ^*data from raw suppliers

2,2-DifluoroethylP-Toluenesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-20/21-38
• Safety Statements: 25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC(F)F
• Uses: 2,2-Difluoroethyl P-Toluenesulfonate is a reagent used in the preparation of (difluorophenyl)[(arylmethyl)thio](triazolyl)butanol fungicides.

Technology Process of 2,2-Difluoroethyl p-toluenesulfonate

There total 3 articles about 2,2-Difluoroethyl p-toluenesulfonate 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: 100.0%

difluoroethanol (359-13-7) + p-toluenesulfonyl chloride (98-59-9) → 2,2-difluoroethyl 4-methylbenzenesulfonatemethyl6-bromo-3-(2,2-difluoroethoxy)picolinate (135206-84-7)

Guidance literature:

With triethylamine; In dichloromethane; at 0 ℃; for 0.5h;

Reference yield:

difluoroethanol (359-13-7) + toluene-4-sulfonic acid (104-15-4) → 2,2-difluoroethyl 4-methylbenzenesulfonatemethyl6-bromo-3-(2,2-difluoroethoxy)picolinate (135206-84-7)

Guidance literature:

With triethylamine; In dichloromethane; at 0 ℃; for 0.5h;

Reference yield:

2,2-difluoromethyl diazomethane + toluene-4-sulfonic acid (104-15-4) → 2,2-difluoroethyl 4-methylbenzenesulfonatemethyl6-bromo-3-(2,2-difluoroethoxy)picolinate (135206-84-7)

Guidance literature:

In chloroform; at 20 ℃; for 24h;

DOI:10.1002/chem.201703446

upstream raw materials:

difluoroethanol

p-toluenesulfonyl chloride

toluene-4-sulfonic acid

Downstream raw materials:

2,2-difluoroethyl phenyl sulfide

5-bromo-6-(N-(2,2-difluoroethyl)methylsulfonamido)-2-(4-fluorophenyl)-N-methylbenzofuran-3-carboxamide

2,2-difluoroethyl methyl ether