2-Phenylethane-1-sulfonyl fluoride

Base Information

• Chemical Name: 2-Phenylethane-1-sulfonyl fluoride
• CAS No.: 2924-68-7
• Molecular Formula: C8H9FO2S
• Molecular Weight: 188.21900
• European Community (EC) Number: 850-458-8
• DSSTox Substance ID: DTXSID101306743
• Nikkaji Number: J3.630.269K
• Mol file: 2924-68-7.mol

Synonyms:2-phenylethane-1-sulfonyl fluoride;2924-68-7;Benzeneethanesulfonyl fluoride;2-phenylethanesulfonyl fluoride;phenylethanosulfonyl fluoride;SCHEMBL2938840;2-phenylethane-1-sulfonylfluoride;DTXSID101306743;AKOS033927993;ES-2138;CS-0263249;EN300-85771;Z1258763618

Chemical Property of 2-Phenylethane-1-sulfonyl fluoride

Chemical Property:

• Melting Point: 26.5 - 27 °C (petroleum ether)
• PSA: 42.52000
• LogP: 2.60920
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 188.03072886
• Heavy Atom Count: 12
• Complexity: 212

Purity/Quality:

99% ^*data from raw suppliers

2-phenylethane-1-sulfonylfluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Phenylethane-1-sulfonyl fluoride

There total 20 articles about 2-Phenylethane-1-sulfonyl fluoride 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: 80.0%

C8H10O2S*C6H15N → 2-phenylethane-1-sulfonyl fluoride (2924-68-7)

Guidance literature:

With N-fluorobis(benzenesulfon)imide; at 20 ℃; for 4h; Inert atmosphere;

DOI:10.1021/acs.orglett.1c03194

Reference yield: 65.0%

2-mercaptophenylethane (4410-99-5) → 2-phenylethane-1-sulfonyl fluoride (2924-68-7)

Guidance literature:

With pyridine; hydrogenchloride; potassium fluoride; water; In acetonitrile; at 20 ℃; for 24h; Electrochemical reaction; Green chemistry;

DOI:10.1021/jacs.9b06126

Reference yield:

C9H12O3S → 2-phenylethane-1-sulfonyl fluoride (2924-68-7)

Guidance literature:

C₉H₁₂O₃S; With phosphoric acid; In dichloromethane; dimethyl sulfoxide; at 23 ℃; for 2h; Inert atmosphere;

With N-fluorobis(benzenesulfon)imide; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; n-heptane; dichloromethane; at 0 - 23 ℃; for 0.666667h; Inert atmosphere;

DOI:10.1021/acs.orglett.6b02894

upstream raw materials:

2-phenylethylsulfonyl chloride

1-phenyl-2-bromoethane

ethylenesulfonyl fluoride

phenylboronic acid