Ethyl 2-fluoro-2-(phenylsulfonyl)acetate

Base Information

• Chemical Name: Ethyl 2-fluoro-2-(phenylsulfonyl)acetate
• CAS No.: 20808-13-3
• Molecular Formula: C₁₀H₁₁FO₄S
• Molecular Weight: 246.259
• DSSTox Substance ID: DTXSID901277267
• Nikkaji Number: J2.932.667C
• Mol file: 20808-13-3.mol

Synonyms:ethyl 2-fluoro-2-(phenylsulfonyl)acetate;20808-13-3;DTXSID901277267

Chemical Property of Ethyl 2-fluoro-2-(phenylsulfonyl)acetate

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 246.03620816
• Heavy Atom Count: 16
• Complexity: 327

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C(F)S(=O)(=O)C1=CC=CC=C1

Technology Process of Ethyl 2-fluoro-2-(phenylsulfonyl)acetate

There total 7 articles about Ethyl 2-fluoro-2-(phenylsulfonyl)acetate 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: 93.0%

fluoromethyl phenyl sulfone (20808-12-2) + Diethyl carbonate (105-58-8,76619-83-5) → ethyl 2-fluoro-2-(phenylsulfonyl)acetate (20808-13-3)

Guidance literature:

fluoromethyl phenyl sulfone; Diethyl carbonate; With lithium hexamethyldisilazane; In tetrahydrofuran; at -78 ℃; Inert atmosphere;

With hydrogenchloride; In tetrahydrofuran; water; at -78 ℃; Inert atmosphere;

DOI:10.1021/jo900320b

Reference yield: 57.0%

ethyl 2-(phenylsulfinyl)acetate (54882-04-1) → ethyl 2-phenylsulfonylacetate (7605-30-3) + ethyl 2-fluoro-2-(phenylsulfonyl)acetate (20808-13-3) + ethyl (2,2-difluoro-2-phenylsulfinyl)acetate (130409-81-3)

Guidance literature:

With fluorine; In acetonitrile; at -20 ℃; for 0.0833333h;

DOI:10.1248/cpb.44.703

Reference yield: 33.7%

ethyl 2-fluoro-2-(phenylsulfanyl)acetate (106372-59-2) → ethyl 2-fluoro-2-(phenylsulfonyl)acetate (20808-13-3)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; for 0.333333h;

upstream raw materials:

ethyl (phenylsulfonyl)sodioacetate

ethyl 2-fluoro-2-(phenylsulfanyl)acetate

ethyl chlorofluoroacetate

sodium thiophenolate

Downstream raw materials:

ethyl 3-(cyclohexyl(methyl)amino)-2-fluoro-2-(phenylsulfonyl)propanoate

(E)-ethyl 2-fluoro-5-phenyl-2-(phenylsulfonyl)pent-4-enoate

2-fluoro-3-(2-nitrophenyl)-acrylic acid ethyl ester

Fluor-phenylsulfonyl-essigsaeure-anilid