Benzene, 1-(methylthio)-2-(1-propenyl)-, (E)-

Base Information

• Chemical Name: Benzene, 1-(methylthio)-2-(1-propenyl)-, (E)-
• CAS No.: 51130-01-9
• Molecular Formula: C10H12S
• Molecular Weight: 164.271
• DSSTox Substance ID: DTXSID401253187
• Mol file: 51130-01-9.mol

Synonyms:SCHEMBL10060043;BENZENE, 1-(METHYLTHIO)-2-(1-PROPENYL)-, (E)-;DTXSID401253187;51130-01-9

Chemical Property of Benzene, 1-(methylthio)-2-(1-propenyl)-, (E)-

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 164.06597156
• Heavy Atom Count: 11
• Complexity: 129

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CC1=CC=CC=C1SC
• Isomeric SMILES: C/C=C/C1=CC=CC=C1SC

Technology Process of Benzene, 1-(methylthio)-2-(1-propenyl)-, (E)-

There total 6 articles about Benzene, 1-(methylthio)-2-(1-propenyl)-, (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: 88.0%

1-methylsulfanyl-2-(prop-1-ynyl)benzene (27329-54-0) → o-(E)-propenylthioanisole (51130-01-9)

Guidance literature:

With chloro(1,5-cyclooctadiene)(pentamethylcyclopentadiene)ruthenium(II); hydrogen; silver trifluoromethanesulfonate; In dichloromethane; at 20 ℃; for 1.5h; under 7500.75 Torr; diastereoselective reaction; Inert atmosphere; Autoclave;

DOI:10.1002/anie.201205946

Reference yield:

1-Methylthio-2-(prop-1-enyl)benzene (51635-50-8) → o-(E)-propenylthioanisole (51130-01-9)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); thiophenol; at 90 ℃; for 1h;

DOI:10.1021/jo00220a029

Reference yield:

1-Methyl-2H-1-benzothiopyranium Perchlorate → 1-Allyl-2-methylthiobenzene (51130-00-8) + o-(E)-propenylthioanisole (51130-01-9) + 1-Methylthio-2-(prop-1-enyl)benzene (51635-50-8)

Guidance literature:

With magnesium; In tetrahydrofuran; Product distribution; also other cyclic onium salts; various conditions;

upstream raw materials:

1-Methylthio-2-(prop-1-enyl)benzene

1-Allyl-2-methylthiobenzene

N,N-Dimethyl-S-o-allylphenylthiocarbamat

1-methylsulfanyl-2-(prop-1-ynyl)benzene

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