3-[Benzo(b)thiophen-2-yl]phenol

Base Information

Chemical Name:3-[Benzo(b)thiophen-2-yl]phenol
CAS No.:95935-60-7
Molecular Formula:C14H10OS
Molecular Weight:226.299
Hs Code.:2934999090
DSSTox Substance ID:DTXSID80683532
Nikkaji Number:J3.243.316B
Wikidata:Q82608569
Mol file:95935-60-7.mol

Synonyms:3-[Benzo(b)thiophen-2-yl]phenol;95935-60-7;3-(1-Benzothiophen-2-yl)phenol;3-(Benzo[b]thiophen-2-yl)phenol;DTXSID80683532;MFCD18312902;2-(m-Hydroxyphenyl)-1-benzothiophene;AKOS015898815;BS-29855

Suppliers and Price of 3-[Benzo(b)thiophen-2-yl]phenol

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

Crysdot
3-(Benzo[b]thiophen-2-yl)phenol 95+%
1g
$ 330.00

Chemenu
3-(Benzo[b]thiophen-2-yl)phenol 95%
1g
$ 311.00

AK Scientific
3-[Benzo(b)thiophen-2-yl]phenol
250mg
$ 251.00

Total 4 raw suppliers

Chemical Property of 3-[Benzo(b)thiophen-2-yl]phenol

Chemical Property:

PSA：48.47000
LogP:4.27390
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:226.04523611
Heavy Atom Count:16
Complexity:243

Purity/Quality:

99% ^*data from raw suppliers

3-(Benzo[b]thiophen-2-yl)phenol 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C=C(S2)C3=CC(=CC=C3)O

Technology Process of 3-[Benzo(b)thiophen-2-yl]phenol

There total 5 articles about 3-[Benzo(b)thiophen-2-yl]phenol 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: 97.0%

: 591-20-8
3-Bromophenol

: 95-15-8,11095-43-5
Benzo[b]thiophene

: 95935-60-7
3-(benzo[b]thiophen-2-yl)phenol

Guidance literature:: Benzo[b]thiophene; With n-butyllithium; Triisopropyl borate; In tetrahydrofuran; hexane; at -78 ℃; for 1h; Inert atmosphere;

3-Bromophenol; With potassium phosphate; chloro-(2-dicyclohexylphosphino-2,4,6-triisopropyl-1,1-biphenyl)[2-(2-amino-1,1-biphenyl)]palladium(II); In tetrahydrofuran; hexane; water; at 40 ℃; for 2h; Inert atmosphere;
DOI:10.1021/ol302063g

Reference yield: 95.0%

: C₁₄H₁₁FO

: 95935-60-7
3-(benzo[b]thiophen-2-yl)phenol

Guidance literature:: With potassium sulfide; In N,N-dimethyl-formamide; at 140 ℃; for 24h; Schlenk technique; Inert atmosphere;
DOI:10.1055/s-0033-1339289

Reference yield:

: (2-fluorobenzyl)triphenylphosphonium bromide

: 95935-60-7
3-(benzo[b]thiophen-2-yl)phenol

Guidance literature:: Multi-step reaction with 2 steps

1: potassium tert-butylate / tetrahydrofuran / 5 h / Schlenk technique

2: potassium sulfide / N,N-dimethyl-formamide / 24 h / 140 °C / Schlenk technique; Inert atmosphere

With potassium sulfide; potassium tert-butylate; In tetrahydrofuran; N,N-dimethyl-formamide;
DOI:10.1055/s-0033-1339289