3-[(2-Methylthio)phenyl]-1-propene

Base Information

• Chemical Name: 3-[(2-Methylthio)phenyl]-1-propene
• CAS No.: 51130-00-8
• Molecular Formula: C₁₀H₁₂S
• Molecular Weight: 164.271
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID70510489
• Wikidata: Q82368810
• Mol file: 51130-00-8.mol

Synonyms:3-[(2-Methylthio)phenyl]-1-propene;51130-00-8;1-methylsulfanyl-2-prop-2-enylbenzene;1-(Methylsulfanyl)-2-(prop-2-en-1-yl)benzene;MFCD07775128;3-(2-METHYLTHIOPHENYL)-1-PROPENE;methyl 2-allylphenyl sulfide;SCHEMBL9209214;1-Allyl-2-methylsulfanyl-benzene;DTXSID70510489;BCA13000;AKOS006284879;EN300-698390

Chemical Property of 3-[(2-Methylthio)phenyl]-1-propene

Chemical Property:

• Vapor Pressure: 0.081mmHg at 25°C
• Boiling Point: 234.4°C at 760 mmHg
• Flash Point: 94.1°C
• PSA: 25.30000
• Density: 0.99g/cm³
• LogP: 3.13700
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 164.06597156
• Heavy Atom Count: 11
• Complexity: 120

Purity/Quality:

99% ^*data from raw suppliers

3-[(2-Methylthio)phenyl]-1-propene 85% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=CC=CC=C1CC=C

Technology Process of 3-[(2-Methylthio)phenyl]-1-propene

There total 5 articles about 3-[(2-Methylthio)phenyl]-1-propene 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: 97.5%

1-methylthiachroman hexafluorophosphate (82135-97-5) → thiochromane (2054-35-5) + 1-Allyl-2-methylthiobenzene (51130-00-8) + 1-Methylsulfanyl-2-propyl-benzene

Guidance literature:

With potassium graphite; In tetrahydrofuran; for 1h; Product distribution; Ambient temperature; order of cleavage, cleavage ratio;

DOI:10.1021/ja00380a020

Reference yield: 13.3%

1,2-dimethylthiaindan hexafluorophosphate (82135-98-6) → 2-methyl-2,3-dihydro-benzo[b]thiophene (6165-55-5) + 1-Allyl-2-methylthiobenzene (51130-00-8) + 1-Methylsulfanyl-2-propyl-benzene + 2,3-dimethyl-1,4-bis(2-(methylthio)phenyl)butane (345931-07-9)

Guidance literature:

With potassium graphite; In tetrahydrofuran; for 1h; Ambient temperature;

DOI:10.1021/ja00380a020

Reference yield:

N,N-Dimethyl-S-o-allylphenylthiocarbamat (51635-55-3) + methyl iodide (74-88-4) → 1-Allyl-2-methylthiobenzene (51130-00-8)

Guidance literature:

Multistep reaction; (i) LiAlH₄, (ii) /BRN= 969135/;

DOI:10.1021/jo00929a005

upstream raw materials:

1,2-dimethylthiaindan hexafluorophosphate

1-methylthiachroman hexafluorophosphate

N,N-Dimethyl-S-o-allylphenylthiocarbamat

methyl iodide

Downstream raw materials:

o-(E)-propenylthioanisole

Formic acid 1-methyl-2-(2-methylsulfanyl-phenyl)-ethyl ester

1-(2-Bromo-4,4,4-trichloro-butyl)-2-methylsulfanyl-benzene

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