1-[4-(S-Acetylthiomethyl)phenyl]acetylene

Base Information

Chemical Name:1-[4-(S-Acetylthiomethyl)phenyl]acetylene
CAS No.:307537-95-7
Molecular Formula:C11H10OS
Molecular Weight:190.266
Hs Code.:
DSSTox Substance ID:DTXSID20443697
Nikkaji Number:J1.919.148F
Wikidata:Q82261607
Mol file:307537-95-7.mol

Synonyms:S-4-Ethynylbenzyl ethanethioate;307537-95-7;1-[4-(S-Acetylthiomethyl)phenyl]acetylene;S-4-Ethynylbenzylethanethioate;SCHEMBL4266681;DTXSID20443697;XEOGHHBZYSIDIG-UHFFFAOYSA-N;1-(Acetylthiomethyl)-4-ethynylbenzene;F71745

Suppliers and Price of 1-[4-(S-Acetylthiomethyl)phenyl]acetylene

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

Total 2 raw suppliers

Chemical Property of 1-[4-(S-Acetylthiomethyl)phenyl]acetylene

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:190.04523611
Heavy Atom Count:13
Complexity:218

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)SCC1=CC=C(C=C1)C#C

Technology Process of 1-[4-(S-Acetylthiomethyl)phenyl]acetylene

There total 3 articles about 1-[4-(S-Acetylthiomethyl)phenyl]acetylene 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: 93.0%

: 307537-94-6
1-[4-(S-acetylthiomethyl)phenyl]-2-(trimethylsilyl)acetylene

: 307537-95-7
1-[4-(S-acetylthiomethyl)phenyl]acetylene

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran;
DOI:10.1021/jo035640+

Reference yield:

: 307537-93-5
thioacetic acid S-(4-iodobenzyl) ester

: 307537-95-7
1-[4-(S-acetylthiomethyl)phenyl]acetylene

Guidance literature:: Multi-step reaction with 2 steps

1: 94 percent / Pd(PPh₃)2Cl₂; CuI; Et₃N / tetrahydrofuran

2: 93 percent / n-Bu₄NF / tetrahydrofuran

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; tetrabutyl ammonium fluoride; triethylamine; In tetrahydrofuran; 1: Sonogashira coupling;
DOI:10.1021/jo035640+

Reference yield:

: 16004-15-2
1-bromomethyl-4-iodobenzene

: 307537-95-7
1-[4-(S-acetylthiomethyl)phenyl]acetylene

Guidance literature:: Multi-step reaction with 3 steps

1: 99 percent / N,N-dimethyl-acetamide / 20 °C

2: 92 percent / CuI; N,N-diisopropylethylamine / Pd(PPh₃)2Cl₂ / tetrahydrofuran / 40 h / 40 °C

3: 92 percent / Bu₄NF / tetrahydrofuran; acetic acid; acetic anhydride / 0.17 h / -20 °C

With copper(l) iodide; tetrabutyl ammonium fluoride; N-ethyl-N,N-diisopropylamine; bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; N,N-dimethyl acetamide; acetic anhydride; acetic acid; 1: Substitution / 2: coupling / 3: desilylation;
DOI:10.1021/jo000487u