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674540

Sigma-Aldrich

Benzo[b]thiophene-2-carboxaldehyde

97%

Synonym(s):

Thianaphthene-2-carboxaldehyde

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About This Item

Empirical Formula (Hill Notation):
C9H6OS
CAS Number:
3541-37-5
Molecular Weight:
162.21
MDL number:
MFCD01075041
UNSPSC Code:
12352100
PubChem Substance ID:
24885220
NACRES:
NA.22

Assay

97%

form

solid

mp

32-36 °C

functional group

aldehyde

SMILES string

O=Cc1cc2ccccc2s1

InChI

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

InChI key

NXSVNPSWARVMAY-UHFFFAOYSA-N

Application

Preparation of the corresponding vinyl benzyl ether using Julia olefination.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

>230.0 °F - closed cup

Flash Point(C)

> 110 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
SHBJ6213
SHBF9775V
MKBK1550V
MKBJ4966V
MKBH0007V

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Simon Surprenant et al.
Organic letters, 5(25), 4851-4854 (2003-12-05)
Julia olefination between alpha-alkoxy sulfones 2a-c and a wide variety of ketones or aldehydes afforded substituted vinyl ethers in 46-90% yields. Sulfones 2a-c were readily prepared in two steps from commercially available reagents in 68-80% yields. Optimization revealed that the
V M Manikandamathavan et al.
European journal of medicinal chemistry, 135, 434-446 (2017-05-06)
Two mononuclear copper (II) terpyridine complexes namely, [Cu(Btptpy) (ClO
Niina Tani et al.
Bioorganic & medicinal chemistry, 22(23), 6655-6664 (2014-12-03)
Inhibition of CYP2A6-mediated nicotine metabolism can reduce cigarette smoking. We sought potent and selective CYP2A6 inhibitors to be used as leads for drugs useful in smoking reduction therapy, by evaluating CYP2A6 inhibitory effect of novel formyl, alkyl amine or carbonitrile

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