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494968

Thianaphthene-3-carboxaldehyde

95%

Synonym(s):

Benzo[b]thiophene-3-carboxaldehyde

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About This Item

Empirical Formula (Hill Notation):
C9H6OS
CAS Number:
5381-20-4
Molecular Weight:
162.21
NACRES:
NA.22
PubChem Substance ID:
24872938
UNSPSC Code:
12352100
MDL number:
MFCD00052376
Assay:
95%
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assay

95%

bp

166 °C/20 mmHg (lit.)

mp

53-57 °C (lit.)

functional group

aldehyde

SMILES string

O=Cc1csc2ccccc12

InChI

1S/C9H6OS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-6H

InChI key

WDJLPQCBTBZTRH-UHFFFAOYSA-N

General description

Thianaphthene-3-carboxaldehyde, also known as benzo[b]thiophene-3-carboxaldehyde, can be synthesized from 3-methyl-benzo[b]thiophene. It undergoes phosphine-free palladium coupling with aryl halides to form 2-arylbenzo[b]thiophenes.

Application

Thianaphthene-3-carboxaldehyde (Benzo[b]thiophene-3-carboxaldehyde) may be used as a starting material in the multi-step synthesis of anthra[2,3-b:7,6-b′]bis[1benzothiophenes (ABBTs).
It may be used in the synthesis of :
  • 6-(N,N-dimethylamino)-2-(benzo[b]thiophen-3-yl)quinazolin-4-one
  • 6-(pyrrolidin-1-yl)-2-(benzo[b]thiophen-3-yl)quinazolin-4-one
  • (Z)-2-(benzo­[b]­thio­phen-3-yl­methyl­ene)-1-aza­bi­cyclo­[2.2.2]­octan-3-one

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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