1-Ethynyl-3-(methylsulfanyl)benzene

Base Information

Chemical Name:1-Ethynyl-3-(methylsulfanyl)benzene
CAS No.:210905-75-2
Molecular Formula:C9H8S
Molecular Weight:148.22482
Hs Code.:
DSSTox Substance ID:DTXSID70441648
Wikidata:Q82258506
Mol file:210905-75-2.mol

Synonyms:1-ethynyl-3-(methylsulfanyl)benzene;210905-75-2;(3-ethynylphenyl)(methyl)sulfane;1-ethynyl-3-methylsulfanylbenzene;BENZENE, 1-ETHYNYL-3-(METHYLTHIO)-;AGN-PC-0N6KBO;SCHEMBL2768785;DTXSID70441648;MFCD17281925;AKOS012332930;AB92250;AS-61847;CS-0038712;W13076;EN300-1265876;F8883-2546

Suppliers and Price of 1-Ethynyl-3-(methylsulfanyl)benzene

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
1-ethynyl-3-(methylsulfanyl)benzene
50mg
$ 200.00

Alichem
(3-Ethynylphenyl)(methyl)sulfane
25g
$ 3864.56

Alichem
(3-Ethynylphenyl)(methyl)sulfane
5g
$ 1460.60

Alichem
(3-Ethynylphenyl)(methyl)sulfane
10g
$ 2251.20

AK Scientific
1-Ethynyl-3-(Methylsulfanyl)Benzene
5g
$ 2106.80

ACHEMBLOCK
1-ethynyl-3-(methylsulfanyl)benzene 95%
5G
$ 2975.00

ACHEMBLOCK
1-ethynyl-3-(methylsulfanyl)benzene 95%
1G
$ 940.00

Total 2 raw suppliers

Chemical Property of 1-Ethynyl-3-(methylsulfanyl)benzene

Chemical Property:

Boiling Point:232.7±23.0 °C(Predicted)
PSA：25.30000
Density:1.07±0.1 g/cm3(Predicted)
LogP:2.38980
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:148.03467143
Heavy Atom Count:10
Complexity:142

Purity/Quality:

99% ^*data from raw suppliers

1-ethynyl-3-(methylsulfanyl)benzene ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CSC1=CC=CC(=C1)C#C

Technology Process of 1-Ethynyl-3-(methylsulfanyl)benzene

There total 5 articles about 1-Ethynyl-3-(methylsulfanyl)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: 99.0%

: Triisopropyl-(3-methylsulfanyl-phenylethynyl)-silane

: 210905-75-2
1-ethynyl-3-(methylthio)benzene

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃; for 0.75h;
DOI:10.1021/jo980846+

Reference yield: 79.0%

: 124153-80-6
2-methyl-4-(3-(methylthio)phenyl)but-3-yn-2-ol

: 210905-75-2
1-ethynyl-3-(methylthio)benzene

Guidance literature:: With sodium hydride; In benzene; for 1h; Heating;
DOI:10.1016/j.bmc.2007.11.003

Reference yield:

: 33733-73-2
3-bromo-1-(methylthio)benzene

: 210905-75-2
1-ethynyl-3-(methylthio)benzene

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) t-BuLi, 2.) I₂ / 1.) Et₂O, pentane, -75 deg C, 30 min, 2.) Et₂O, -75 deg C, 10 min; -20 deg C, 10 min

2: 98 percent / Et₃N, CuI / Pd(PPh₃)2Cl₂ / toluene / 2 h / 20 °C

3: 99 percent / TBAF / tetrahydrofuran / 0.75 h / 20 °C

With copper(l) iodide; tetrabutyl ammonium fluoride; iodine; tert.-butyl lithium; triethylamine; bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; toluene;
DOI:10.1021/jo980846+