Benzo[b]thiophen-2-yl(phenyl)methanol

Base Information

• Chemical Name: Benzo[b]thiophen-2-yl(phenyl)methanol
• CAS No.: 116496-01-6
• Molecular Formula: C15H12OS
• Molecular Weight: 240.326
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60391340
• Nikkaji Number: J2.655.024F
• Mol file: 116496-01-6.mol

Synonyms:Benzo[b]thiophen-2-yl(phenyl)methanol;116496-01-6;1-benzothiophen-2-yl(phenyl)methanol;benzo[b]thiophen-2-yl-phenyl-methanol;Benzo[b]thiophene-2-Methanol, alpha-phenyl-;SCHEMBL477483;DTXSID60391340;ILMXGRVAPAQFTQ-UHFFFAOYSA-N;AKOS003583260;(Benzo[b]thiophene-2-yl)phenylmethanol;(1-benzothiophen-2-yl)(phenyl)methanol;Benzo[b]thiophene-2-yl-(phenyl)-methanol

Chemical Property of Benzo[b]thiophen-2-yl(phenyl)methanol

Chemical Property:

• PSA: 48.47000
• LogP: 3.98300
• Storage Temp.: 2-8°C
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 240.06088618
• Heavy Atom Count: 17
• Complexity: 249

Purity/Quality:

≥99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC3=CC=CC=C3S2)O

Technology Process of Benzo[b]thiophen-2-yl(phenyl)methanol

There total 12 articles about Benzo[b]thiophen-2-yl(phenyl)methanol 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%

benzothiophene-2-carboxaldehyde (3541-37-5) + potassium phenyltrifluoborate → benzo[b]thiophene-2-yl(phenyl)methanol (116496-01-6)

Guidance literature:

With caesium carbonate; bis(η3-allyl-μ-chloropalladium(II)); In water; toluene; at 100 ℃; for 2h;

DOI:10.1021/jo801352h

Reference yield: 93.0%

benzaldehyde (100-52-7) + Benzo[b]thiophene (95-15-8,11095-43-5) → benzo[b]thiophene-2-yl(phenyl)methanol (116496-01-6)

Guidance literature:

Benzo[b]thiophene; With 2,2,6,6-tetramethylpiperidinylmagnesium chloride lithium chloride complex; In tetrahydrofuran; at 0 ℃; for 12h; Inert atmosphere;

benzaldehyde; In tetrahydrofuran; chemoselective reaction; Inert atmosphere;

DOI:10.1002/ejoc.200801277

Reference yield: 93.0%

benzothiophene-2-carboxaldehyde (3541-37-5) + phenylboronic acid (98-80-6) → benzo[b]thiophene-2-yl(phenyl)methanol (116496-01-6)

Guidance literature:

With 1-(2,6-diisopropylphenyl)-3-(2-(phenylthio)phenyl)-4,5-dihydroimidazolinium chloride; bis(η3-allyl-μ-chloropalladium(II)); caesium carbonate; In water; at 20 - 100 ℃;

DOI:10.1016/j.tet.2010.06.049

upstream raw materials:

benzothiophen-2-yllithium

benzaldehyde

Benzo[b]thiophene

n-butyllithium

Downstream raw materials:

2-(Chloro-phenyl-methyl)-benzo[b]thiophene

1-(Benzo[b]thiophen-2-yl-phenyl-methyl)-1H-benzotriazole

2-benzyl-benzo[b]thiophene

4-(benzo[b]thiophen-2-yl(phenyl)methyl)-2-chloroaniline

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