1-(Methylsulfanyl)-2-(prop-1-yn-1-yl)benzene

Base Information

• Chemical Name: 1-(Methylsulfanyl)-2-(prop-1-yn-1-yl)benzene
• CAS No.: 27329-54-0
• Molecular Formula: C10H10S
• Molecular Weight: 162.255
• DSSTox Substance ID: DTXSID10515675
• Nikkaji Number: J603.629E
• Wikidata: Q82376678
• Mol file: 27329-54-0.mol

Synonyms:27329-54-0;1-(Methylsulfanyl)-2-(prop-1-yn-1-yl)benzene;DTXSID10515675

Chemical Property of 1-(Methylsulfanyl)-2-(prop-1-yn-1-yl)benzene

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 162.05032149
• Heavy Atom Count: 11
• Complexity: 172

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC#CC1=CC=CC=C1SC

Technology Process of 1-(Methylsulfanyl)-2-(prop-1-yn-1-yl)benzene

There total 8 articles about 1-(Methylsulfanyl)-2-(prop-1-yn-1-yl)benzene 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: 96.0%

triisopropyl(3-[2-(methylsulfanyl)phenyl]prop-1-yn-1-yl)silane → 1-methylsulfanyl-2-(prop-1-ynyl)benzene (27329-54-0)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃; for 0.333333h; Inert atmosphere;

DOI:10.1021/jacs.5b12579

Reference yield: 70.0%

Benzo[b]thiophene (95-15-8,11095-43-5) + methyl iodide (74-88-4) → 1-methylsulfanyl-2-(prop-1-ynyl)benzene (27329-54-0)

Guidance literature:

With ammonia; sodium amide; In diethyl ether; at -35 ℃;

DOI:10.1016/0040-4039(95)00011-Z

Reference yield:

3-bromo-2-methylbenzo[b]thiophene (10243-15-9) + methyl iodide (74-88-4) → 1-methylsulfanyl-2-(prop-1-ynyl)benzene (27329-54-0)

Guidance literature:

3-bromo-2-methylbenzo[b]thiophene; With n-butyllithium; In tetrahydrofuran; hexane; at 24 ℃; for 0.000872222h; Flow microreactor system;

methyl iodide; In tetrahydrofuran; hexane; at 24 ℃; Flow microreactor system;

DOI:10.1246/cl.2011.393

upstream raw materials:

1-(2-methylsulfanylbenzoyl)ethylidene(triphenyl)phosphorane

Benzo[b]thiophene

methyl iodide

2-methylsulfanyl-benzoyl chloride

Downstream raw materials:

o-(E)-propenylthioanisole