Benzo[b]thiophene-4-ol

Base Information

• Chemical Name: Benzo[b]thiophene-4-ol
• CAS No.: 3610-02-4
• Molecular Formula: C8H6OS
• Molecular Weight: 150.201
• Hs Code.: 2934999090
• European Community (EC) Number: 222-776-1
• UNII: S373YK9TXM
• DSSTox Substance ID: DTXSID10189678
• Nikkaji Number: J67.797C
• Wikidata: Q72440054
• Mol file: 3610-02-4.mol

Synonyms:benzo(b)thiophen-4-ol

Chemical Property of Benzo[b]thiophene-4-ol

Chemical Property:

• Vapor Pressure: 0.000585mmHg at 25°C
• Melting Point: 80-81℃
• Refractive Index: 1.727
• Boiling Point: 301.553 °C at 760 mmHg
• PKA: 9.23±0.40(Predicted)
• Flash Point: 136.175 °C
• PSA: 48.47000
• Density: 1.348 g/cm³
• LogP: 2.60690
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 150.01393598
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

97% ^*data from raw suppliers

Benzo[b]thiophen-4-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C2C=CSC2=C1)O

Technology Process of Benzo[b]thiophene-4-ol

There total 17 articles about Benzo[b]thiophene-4-ol 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: 91.0%

4-keto-4,5,6,7-tetrahydrothianaphthene (13414-95-4) → 4-hydroxybenzothiophene (3610-02-4)

Guidance literature:

4-keto-4,5,6,7-tetrahydrothianaphthene; With phenyltrimethylammonium bromide dibromide; In tetrahydrofuran; at 0 - 20 ℃; for 4h;

With lithium carbonate; lithium bromide; In N,N-dimethyl-formamide; at 150 ℃; for 4h;

DOI:10.1021/jm300185p

Reference yield: 91.0%

6-bromo-6,7-dihydro-4-benzothio[b]phenone (915411-13-1) → 4-hydroxybenzothiophene (3610-02-4)

Guidance literature:

6-bromo-6,7-dihydro-4-benzothio[b]phenone; With lithium carbonate; lithium bromide; In N,N-dimethyl-formamide; for 3h; Heating / reflux;

With hydrogenchloride; In water; at 0 ℃; pH=1;

Reference yield: 65.0%

4,5,6,7-tetrahydro-4-oxo-5-bromo-benzothiophene (2513-49-7) → 4-hydroxybenzothiophene (3610-02-4)

Guidance literature:

With lithium carbonate; lithium bromide; In DMF (N,N-dimethyl-formamide); at 110 ℃; for 0.666667h; Heating / reflux;

upstream raw materials:

4-keto-4,5,6,7-tetrahydrothianaphthene

benzo[B]thiophen-4-ylamine

4-Trimethylsiloxy-6,7-dihydrobenzo-thiophen

Acetic acid 6-oxo-9-thia-bicyclo[3.3.1]nona-3,7-dien-2-yl ester

Downstream raw materials:

4-hydroxy-2,3-dihydrobenzo[b]thiophene

2-p-Tolyl-2,3-dihydro-benzo[b]thiophen-4-ol

3-p-Tolyl-2,3-dihydro-benzo[b]thiophen-4-ol

4,5-dihydro-2,4-di-p-tolylbenzothiophen-7(6H)-one

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