2-phenylethanesulfonyl Chloride

Base Information

• Chemical Name: 2-phenylethanesulfonyl Chloride
• CAS No.: 4025-71-2
• Molecular Formula: C8H9ClO2S
• Molecular Weight: 204.677
• Hs Code.: 2904909090
• European Community (EC) Number: 673-798-7
• DSSTox Substance ID: DTXSID90375138
• Nikkaji Number: J1.012.787D
• Wikidata: Q82163673
• Mol file: 4025-71-2.mol

Synonyms:2-phenylethanesulfonyl Chloride;4025-71-2;2-Phenyl-ethanesulfonyl chloride;2-phenylethane-1-sulfonyl chloride;MFCD04117454;2-Phenyl-ethanesulfonylchloride;2-Phenylethylsulphonyl chloride;2-phenylethylsulphonylchloride;phenethylsulfonyl chloride;SCHEMBL66698;2-phenylethanesulfonylChloride;2-phenylethylsulfonyl chloride;DTXSID90375138;2-Phenyl-ethanesulfonyl chloride;LKFNLHZZPHHFEC-UHFFFAOYSA-N;CL8740;STK694712;AKOS000141371;AB20716;AS-7061;CS-W005031;SY039026;2-phenyl-ethanesulfonyl chloride, AldrichCPR;AM20061150;BB 0253921;FT-0602252;EN300-37145;F9995-2518

Chemical Property of 2-phenylethanesulfonyl Chloride

Chemical Property:

• Vapor Pressure: 0.00262mmHg at 25°C
• Melting Point: 32-33 °C
• Refractive Index: 1.555
• Boiling Point: 295.8 °C at 760 mmHg
• Flash Point: 132.7 °C
• PSA: 42.52000
• Density: 1.323 g/cm³
• LogP: 2.87850
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 204.0011784
• Heavy Atom Count: 12
• Complexity: 212

Purity/Quality:

99% ^*data from raw suppliers

2-PhenylethanesulfonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-phenylethanesulfonyl Chloride

There total 18 articles about 2-phenylethanesulfonyl 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: 100.0%

2-mercaptophenylethane (4410-99-5) → 2-phenylethylsulfonyl chloride (4025-71-2)

Guidance literature:

With sulfuryl dichloride; potassium nitrate; In acetonitrile;

DOI:10.1016/S0960-894X(02)00131-2

Reference yield: 92.0%

1-phenyl-2-bromoethane (103-63-9) + thiourea (17356-08-0) → 2-phenylethylsulfonyl chloride (4025-71-2)

Guidance literature:

1-phenyl-2-bromoethane; thiourea; In ethanol; for 1h; Reflux;

With hydrogenchloride; N-chloro-succinimide; water; In acetonitrile; at 10 - 20 ℃; for 0.25h;

DOI:10.1016/j.ejmech.2020.112963

Reference yield: 89.0%

1-benzylthio-2-phenylethane (34372-24-2) → 2-phenylethylsulfonyl chloride (4025-71-2)

Guidance literature:

With hydrogenchloride; iodosylbenzene; for 0.0833333h;

DOI:10.1246/cl.1992.891

upstream raw materials:

2-phenylethyl thiocyanate

S-phenethyl-isothiourea; hydrochloride

2-mercaptophenylethane

ethylbenzene

Downstream raw materials:

4-(2-benzyl-4-methyl-1,1-dioxo-3-phenyl-1λ⁶-thietan-3-yl)-morpholine

1-phenyl-2-(2-phenyl-ethanesulfonyl)-propan-1-one

4-(4-benzyl-2,2-dimethyl-1,1-dioxo-1λ⁶-thietan-3-yl)-morpholine

N-(2-phenylethanesulphonyl)-1,2,3,4-tetrahydroisoquinoline

Refernces

• 1、 Demaerel, Joachim,Graff, David E.,Knowles, Robert R.,Roos, Casey B.. "Enantioselective Hydroamination of Alkenes with Sulfonamides Enabled by Proton-Coupled Electron Transfer". supporting information. p. 5974 - 5979. Retrieved 2020/04/27.
• 2、 Lassalas, Pierrik,Gay, Bryant,Lasfargeas, Caroline,James, Michael J.,Tran, Van,Vijayendran, Krishna G.,Brunden, Kurt R.,Kozlowski, Marisa C.,Thomas, Craig J.,Smith, Amos B.,Huryn, Donna M.,Ballatore, Carlo. "Structure Property Relationships of Carboxylic Acid Isosteres". . p. 3183 - 3203. Retrieved 2016/05/19.