Phenol, 2-(2-heptynylthio)-

Base Information

Chemical Name:Phenol, 2-(2-heptynylthio)-
CAS No.:210350-98-4
Molecular Formula:C13H16OS
Molecular Weight:220.33
Hs Code.:

Synonyms:hydroxyphenylheptynylsulfide;2-hydroxyphenyl hept-2-ynyl sulfide;APHS-d3;

Suppliers and Price of Phenol, 2-(2-heptynylthio)-

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
2-(2-Heptyn-1-ylthio)phenol
250mg
$ 1320.00

TRC
2-(2-Heptyn-1-ylthio)phenol
100mg
$ 595.00

TRC
2-(2-Heptyn-1-ylthio)phenol
50mg
$ 310.00

TRC
2-(2-Heptyn-1-ylthio)phenol
25mg
$ 165.00

TRC
2-(2-Heptyn-1-ylthio)phenol
10mg
$ 75.00

Total 1 raw suppliers

Chemical Property of Phenol, 2-(2-heptynylthio)-

Chemical Property:

PSA：45.53000
LogP:3.67790

Purity/Quality:: 2-(2-Heptyn-1-ylthio)phenol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Uses 2-(2-Heptyn-1-ylthio)phenol is an intermediate in the synthesis of 2-(2-Heptynylthio)phenol Acetate (H288500), which is an O-acetyl, S-alkyl thio ether of 2-thio phenol. It is a potent inhibitor of both COX-1 and COX-2, with IC50 values of 17 and 0.8uM for human recombinant COX-1 and COX-2 respectively. APHS exhibits 20-fold selectivity toward the inhibition of COX-2, yet it is still more potent than aspirin in the inhibition of COX-1.

Technology Process of Phenol, 2-(2-heptynylthio)-

There total 2 articles about Phenol, 2-(2-heptynylthio)- 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: 71.0%

: 1121-24-0
ortho-mercaptophenol

: 18495-26-6
1-bromo-2-heptyne

: 210350-98-4
2-hydroxyphenyl hept-2-ynyl sulfide

Guidance literature:: With potassium hydrogencarbonate; In N,N-dimethyl-formamide; Ambient temperature;
DOI:10.1021/jm980303s

Reference yield:

: 1002-36-4
hep-2-yn-1-ol

: 210350-98-4
2-hydroxyphenyl hept-2-ynyl sulfide

Guidance literature:: Multi-step reaction with 2 steps

1: 71 percent / CBr₄, Ph₃P, pyridine / tetrahydrofuran / 4 h / Ambient temperature

2: 71 percent / KHCO₃ / dimethylformamide / Ambient temperature

With pyridine; carbon tetrabromide; potassium hydrogencarbonate; triphenylphosphine; In tetrahydrofuran; N,N-dimethyl-formamide;
DOI:10.1021/jm980303s