(E)-2-Phenylethenesulfonyl chloride

Base Information

• Chemical Name: (E)-2-Phenylethenesulfonyl chloride
• CAS No.: 52147-97-4
• Molecular Formula: C8H7ClO2S
• Molecular Weight: 202.661
• Hs Code.: 2904990090
• European Community (EC) Number: 223-833-3,628-891-7
• Nikkaji Number: J1.505.967B,J124.144C
• Wikidata: Q76305534
• Mol file: 52147-97-4.mol

Synonyms:(E)-2-Phenylethenesulfonyl chloride;4091-26-3;2-Phenylethenesulfonyl chloride;52147-97-4;beta-styrene sulfonyl chloride;Styrene-beta-sulphonyl chloride;(E)-2-phenylethene-1-sulfonyl chloride;trans-beta-Styrenesulfonyl chloride;2-phenylethene-1-sulfonyl chloride;EINECS 223-833-3;(E)-2-phenyl-ethenesulfonyl chloride;beta-styrenesulfonylchloride;Ethenesulfonyl chloride, 2-phenyl-;Styrylsulfonyl chloride;2-Phenylethenesulfonic acid chloride;MFCD00007456;|A-STYRENE SULFONYL CHLORIDE;Ethenesulfonyl chloride, 2-phenyl-, (1E)-;b-styrene sulfonyl chloride;(E)-styrylsulfonyl chloride;(E)-styrenesulfonyl chloride;.beta.-Styrenesulfonyl chloride;trans-b-styrenesulfonyl chloride;E-beta-styrenesulphonyl chloride;(E)-2-phenylethensulfonyl chloride;STR07946;trans- beta -Styrenesulfonyl chloride;((E)-2-phenylvinyl)sulfonyl chloride;AKOS000352442;Trans-2-phenyl-ethenesulfonyl chloride;(E)-2-phenylethene-1-sulfonylchloride;(E)-2-Phenylethenesulfonyl chloride #;trans-beta-Styrenesulfonyl chloride, 97%;trans-2-phenyl-eth-1-ene sulfonyl chloride;EN300-17017;EN300-396422;H11403;F1967-0518

Chemical Property of (E)-2-Phenylethenesulfonyl chloride

Chemical Property:

• Melting Point: 85-88 °C(lit.)
• Boiling Point: 322.3±25.0 °C(Predicted)
• PSA: 42.52000
• Density: 1.385±0.06 g/cm3(Predicted)
• LogP: 3.30670
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 201.9855283
• Heavy Atom Count: 12
• Complexity: 245

Purity/Quality:

98%,99%, ^*data from raw suppliers

(E)-2-PhenylethenesulfonylChloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=CS(=O)(=O)Cl
• Isomeric SMILES: C1=CC=C(C=C1)/C=C/S(=O)(=O)Cl

Technology Process of (E)-2-Phenylethenesulfonyl chloride

There total 4 articles about (E)-2-Phenylethenesulfonyl 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: 85.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) → trans 2-phenylethenesulfonyl chloride (52147-97-4)

Guidance literature:

With sulfuryl dichloride; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 3h; Inert atmosphere;

DOI:10.1021/jm400575x

Reference yield: 57.0%

→ trans 2-phenylethenesulfonyl chloride (52147-97-4)

Guidance literature:

Reference yield:

ethyl (E)-2-phenylethenesulfonate (14554-08-6) → trans 2-phenylethenesulfonyl chloride (52147-97-4)

Guidance literature:

ethyl (E)-2-phenylethenesulfonate; With tetra-(n-butyl)ammonium iodide; In acetone; Heating;

With triphenylphosphine; In dichloromethane; at 0 ℃; for 0.166667h;

With thionyl chloride; In dichloromethane; at 20 ℃; Further stages.;

DOI:10.1021/jm070669h

upstream raw materials:

styrene

1-Phenylethanol

ethyl (E)-2-phenylethenesulfonate

Downstream raw materials:

(E)-4-chloro-1-phenyl-1-nonene

(E)-4-chloro-1-phenyl-1-octene

(E,E)-1-(4-methylphenyl)-4-phenylbuta-1,3-diene

(E,E)-p-methylstyryl styryl sulfone

Refernces

• 1、 Ernst, Justin T.,Thompson, Peggy A.,Nilewski, Christian,Sprengeler, Paul A.,Sperry, Samuel,Packard, Garrick,Michels, Theodore,Xiang, Alan,Tran, Chinh,Wegerski, Christopher J.,Eam, Boreth,Young, Nathan P.,Fish, Sarah,Chen, Joan,Howard, Haleigh,Staunton, Jocelyn,Molter, Jolene,Clarine, Jeff,Nevarez, Andres,Chiang, Gary G.,Appleman, Jim R.,Webster, Kevin R.,Reich, Siegfried H.. "Design of Development Candidate eFT226, a First in Class Inhibitor of Eukaryotic Initiation Factor 4A RNA Helicase". supporting information. p. 5879 - 5955. Retrieved 2020/07/03.
• 2、 -. "NOVEL SUBSTITUTED SULFONYLUREA DERIVATIVES". Page/Page column 18. . Retrieved 2019/03/17.