Benzene, (1-propenylsulfonyl)-, (E)-

Base Information

• Chemical Name: Benzene, (1-propenylsulfonyl)-, (E)-
• CAS No.: 28975-80-6
• Molecular Formula: C9H10 O2 S
• Molecular Weight: 182.243
• NSC Number: 135459
• Nikkaji Number: J181.298J,J669.569H
• Mol file: 28975-80-6.mol

Synonyms:Benzene, (1-propenylsulfonyl)-, (E)-;[(E)-prop-1-enyl]sulfonylbenzene;28691-72-7;28975-80-6;1-Propenylphenyl sulfone;phenyl trans-propenyl sulfone;SCHEMBL10150411;phenyl (1E)-1-propenyl sulfone;Phenyl[(E)-1-propenyl] sulfone;BWSNBXGFQGTUOK-KRXBUXKQSA-N;(E)-1-(Phenylsulfonyl)-1-propene;NSC135459;[(1E)-1-Propenylsulfonyl]benzene #;NSC-135459

Chemical Property of Benzene, (1-propenylsulfonyl)-, (E)-

Chemical Property:

• Vapor Pressure: 0.000334mmHg at 25°C
• Boiling Point: 329.7°Cat760mmHg
• Flash Point: 187.5°C
• Density: 1.154g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 182.04015073
• Heavy Atom Count: 12
• Complexity: 240

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzene, (1-propenylsulfonyl)-, (E)-

There total 15 articles about Benzene, (1-propenylsulfonyl)-, (E)- 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: 81.0%

(phenylsulfonylmethyl)trimethylsilane (17872-92-3) + acetaldehyde (75-07-0,9002-91-9) → Phenyl-propenyl-sulfon (28975-80-6)

Guidance literature:

With n-butyllithium; In tetrahydrofuran;

DOI:10.1039/c39840000486

Reference yield: 75.0%

sodium benzenesulfonate (873-55-2) + methyloxirane (75-56-9,16033-71-9) → Phenyl-propenyl-sulfon (28975-80-6)

Guidance literature:

With water; lithium bromide; at 80 - 90 ℃; for 12h; regioselective reaction;

DOI:10.1039/c2gc16664j

Reference yield: 61.0%

1-(phenylthio)-1-propene (22103-05-5) → Phenyl-propenyl-sulfon (28975-80-6)

Guidance literature:

With dihydrogen peroxide; In acetic acid;

DOI:10.1016/S0040-4020(01)96163-0

upstream raw materials:

(allylsulfonyl)benzene

1-(phenylthio)-1-propene

(phenylsulfonylmethyl)trimethylsilane

acetaldehyde

Downstream raw materials:

(1,2-Dibromo-propane-1-sulfonyl)-benzene

(Z)-1-bromo-1-phenylsulphonylprop-1-ene

2-methyl-1-(phenylsulfonyl)nonan-3-one

1-(phenylsulfonyl)-2-propanol

Refernces

• 1、 Shyam, Pranab K.,Jang, Hye-Young. "Synthesis of Sulfones and Sulfonamides via Sulfinate Anions: Revisiting the Utility of Thiosulfonates". . p. 1761 - 1767. Retrieved 2017/02/10.
• 2、 Lim, Kelvin Meng-Hui,Hayashi, Tamio. "Rhodium-catalyzed asymmetric arylation of allyl sulfones under the conditions of isomerization into alkenyl sulfones". supporting information. p. 3201 - 3204. Retrieved 2015/03/30.