Benzene, [(2-methyl-2-propenyl)sulfinyl]-

Base Information

• Chemical Name: Benzene, [(2-methyl-2-propenyl)sulfinyl]-
• CAS No.: 43161-07-5
• Molecular Formula: C₁₀H₁₂OS
• Molecular Weight: 180.271
• DSSTox Substance ID: DTXSID70451661
• Nikkaji Number: J3.047.771E
• Mol file: 43161-07-5.mol

Synonyms:Benzene, [(2-methyl-2-propenyl)sulfinyl]-;43161-07-5;Phenyl 2-methylallyl sulfoxide;DTXSID70451661

Chemical Property of Benzene, [(2-methyl-2-propenyl)sulfinyl]-

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 180.06088618
• Heavy Atom Count: 12
• Complexity: 180

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzene, [(2-methyl-2-propenyl)sulfinyl]-

There total 8 articles about Benzene, [(2-methyl-2-propenyl)sulfinyl]- 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: 86.0%

(2-methylallyl)(phenyl)sulfane (702-00-1) → ((2-methylallyl)sulfinyl)benzene (43161-07-5,128326-63-6,128326-64-7)

Guidance literature:

With calcium hypobromite; acetic acid; In water; acetone; at 0 ℃; for 1h; chemoselective reaction;

DOI:10.1016/j.tetlet.2011.12.046

Reference yield: 79.0%

phenylmagnesium bromide (100-58-3) + trimethylsilyl 2-methylprop-2-ene-1-sulfinate (723336-86-5) → ((2-methylallyl)sulfinyl)benzene (43161-07-5,128326-63-6,128326-64-7)

Guidance literature:

With lithium chloride; In tetrahydrofuran; toluene; at -78 ℃; for 2h; Reagent/catalyst; Solvent; Inert atmosphere;

DOI:10.1016/j.tetlet.2015.06.018

Reference yield: 78.0%

tert-butyldimethylsilyl-2-methylprop-2-ene-1-sulfinate + phenylmagnesium bromide (100-58-3) → ((2-methylallyl)sulfinyl)benzene (43161-07-5,128326-63-6,128326-64-7)

Guidance literature:

With zinc(II) chloride; In toluene; at -78 ℃; for 3h; Reagent/catalyst; Inert atmosphere;

DOI:10.1016/j.tetlet.2015.06.018

upstream raw materials:

(2-methylallyl)(phenyl)sulfane

(+/-)_S-isopropyl phenylsulfinate

acetone

dimethyl methane phosphonate

Downstream raw materials:

(E)-3-Methyl-1-phenyl-5-phenylsulfanyl-pent-4-en-1-one

(E)-3-<2'-methyl-3'-(phenylsulfinyl)prop-2'-enyl>cyclopentanone

(Z)-1-<2'-methyl-3'-(phenylsulfinyl)prop-2'-enyl>cyclopent-2-en-1-ol

1-acetoxy-2-methyl-2-propenyl phenyl sulfide