Benzo[b]thiophen-4-ylmethanol

Base Information

• Chemical Name: Benzo[b]thiophen-4-ylmethanol
• CAS No.: 51830-54-7
• Molecular Formula: C9H8OS
• Molecular Weight: 164.22400
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90565395
• Wikidata: Q82450467
• Mol file: 51830-54-7.mol

Synonyms:benzo[b]thiophen-4-ylmethanol;51830-54-7;Benzo[b]thiophen-4-yl-methanol;(1-Benzothiophen-4-yl)methanol;1-BENZOTHIOPHEN-4-YLMETHANOL;SCHEMBL3150232;4-hydroxymethylbenzo(b)thiophene;DTXSID90565395;CCSZLLVNXGKALH-UHFFFAOYSA-N;BCA83054;MFCD18432945;SB37468;CS-0215729;G74646;EN300-2950783;A871156;Z1255453706

Chemical Property of Benzo[b]thiophen-4-ylmethanol

Chemical Property:

• Melting Point: 102 °C
• Boiling Point: 324.0±17.0 °C(Predicted)
• PKA: 14.29±0.10(Predicted)
• PSA: 48.47000
• Density: 1.294±0.06 g/cm3(Predicted)
• LogP: 2.39360
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 164.02958605
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

99%, ^*data from raw suppliers

benzo[b]thiophen-4-ylmethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzo[b]thiophen-4-ylmethanol

There total 2 articles about Benzo[b]thiophen-4-ylmethanol 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: 96.0%

benzothiophen-4-carboxic acid (10134-95-9) → benzo[b]thiophen-4-ylmethanol (51830-54-7)

Guidance literature:

With lithium aluminium tetrahydride; In dichloromethane; at 0 - 25 ℃; for 1h;

Reference yield:

4-keto-4,5,6,7-tetrahydrothianaphthene (13414-95-4) → benzo[b]thiophen-4-ylmethanol (51830-54-7)

Guidance literature:

With lithium bromide; bromine; In methanol; N,N-dimethyl-formamide;

Reference yield: 79.0%

benzo[b]thiophen-4-ylmethanol (51830-54-7) → benzo[b]thiophene-4-carboxaldehyde (10133-25-2)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; at 50 ℃; for 3h;

upstream raw materials:

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

benzothiophen-4-carboxic acid

Downstream raw materials:

benzo[b]thiophene-4-carboxaldehyde

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