Benzo[b]thiophen-7-ylmethanol

Base Information

• Chemical Name: Benzo[b]thiophen-7-ylmethanol
• CAS No.: 51830-53-6
• Molecular Formula: C₉H₈OS
• Molecular Weight: 164.228
• Hs Code.: 2934999090
• European Community (EC) Number: 962-086-4
• DSSTox Substance ID: DTXSID30586322
• Wikidata: Q82478427
• Mol file: 51830-53-6.mol

Synonyms:Benzo[b]thiophen-7-ylmethanol;51830-53-6;1-benzothien-7-ylmethanol;Benzo[b]thien-7-ylmethanol;1-benzothiophen-7-ylmethanol;(1-Benzothiophen-7-yl)methanol;SCHEMBL3154995;Benzo[b]thiophen-7-yl-methanol;DTXSID30586322;AQJJFNFAYMLSNA-UHFFFAOYSA-N;CHEBI:194614;MFCD08572209;AKOS003237320;AS-6493;DB-010728;CS-0232499;EN300-1273467;J-519706

Chemical Property of Benzo[b]thiophen-7-ylmethanol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 76.5 °C
• Refractive Index: 1.698
• Boiling Point: 324.016 °C at 760 mmHg
• Flash Point: 149.76 °C
• PSA: 48.47000
• Density: 1.295 g/cm³
• LogP: 2.39360
• 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]THIEN-7-YLMETHANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)CO)SC=C2

Technology Process of Benzo[b]thiophen-7-ylmethanol

There total 2 articles about Benzo[b]thiophen-7-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:

methyl benzothiophen-7-carboxylate (110449-94-0) → 7-Hydroxymethylbenzo[b]thiophene (51830-53-6)

Guidance literature:

methyl benzothiophen-7-carboxylate; With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 0.666667h;

With hydrogenchloride; water; In tetrahydrofuran; at 0 ℃;

Reference yield:

→ 7-Hydroxymethylbenzo[b]thiophene (51830-53-6)

Guidance literature:

Reference yield:

7-Hydroxymethylbenzo[b]thiophene (51830-53-6) → benzo[b]thiophene-7-carboxaldehyde (10134-91-5)

Guidance literature:

With manganese(IV) oxide; In acetone; at 20 ℃; for 39.6667h;

upstream raw materials:

methyl benzothiophen-7-carboxylate

Downstream raw materials:

benzo[b]thiophene-7-carboxaldehyde

Refernces

• 1、 -. "Indole, benzofuran, benzothiophene containing lipoxygenase inhibiting compounds". . . Retrieved 2008/06/13.