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214671

Sigma-Aldrich

3-Acetylcoumarin

96%

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5 G
$71.70

About This Item

Empirical Formula (Hill Notation):
C11H8O3
CAS Number:
Molecular Weight:
188.18
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

$71.70


Available to ship onApril 29, 2025Details


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Quality Level

assay

96%

form

solid

mp

119-122 °C (lit.)

functional group

ester
ketone

SMILES string

CC(=O)C1=Cc2ccccc2OC1=O

InChI

1S/C11H8O3/c1-7(12)9-6-8-4-2-3-5-10(8)14-11(9)13/h2-6H,1H3

InChI key

CSPIFKKOBWYOEX-UHFFFAOYSA-N

General description

FTIR and FT-Raman spectra of 3-acetylcoumarin has been reported[1]. 3-Acetylcoumarin undergoes condensation with aryl aldehydes in chloroform in the presence of piperidine to yield coumarin derivatives containing 4-arylbut-3-en-2-one moiety[2].

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)


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Abdullah Sulaiman Al-Ayed
Molecules (Basel, Switzerland), 16(12), 10292-10302 (2011-12-14)
A series of new coumarin derivatives 4 containing a 4-arylbut-3-en-2-one moiety were synthesized by condensation of 3-acetylcoumarin 1 with aryl aldehydes 2 in chloroform in the presence of piperidine. The interactions of 3-formyl-4-chlorocoumarin (3) with nitrogen-containg nucleophiles leading to the
Rekha S Hunoor et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 77(4), 838-844 (2010-09-14)
Co(II), Ni(II), Cu(II) and Zn(II) complexes with a new heterocyclic Schiff base derived by the condensation of isonicotinoylhydrazide and 3-acetylcoumarin have been synthesized. ¹H, ¹³C and 2D HETCOR NMR analyses confirm the formation of title compound and existence of the
Puja Kapoor et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 83(1), 74-81 (2011-09-10)
The present work stems from our interest in the synthesis, characterization and biological evaluation of lanthanide(III) complexes of a class of coumarin based imines which have been prepared by the interaction of hydrated lanthanide(III) chloride with the sodium salts of
Anuradha Ramoji et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 68(3), 504-509 (2007-03-03)
Laser Raman (3500-50 cm(-1)) and IR (4000-400 cm(-1)) spectral measurements have been made on the laboratory prepared solid 3-acetylcoumarin. Molecular electronic energy, equilibrium geometrical structure and harmonic vibrational spectra have been computed at the RHF/6-31G(d,p) and B3LYP/6-31G(d,p) levels of theory.
Jhi Biau Foo et al.
Biometals : an international journal on the role of metal ions in biology, biochemistry, and medicine, 31(4), 505-515 (2018-04-07)
Copper complexes have been widely studied for the anti-tumour application as cancer cells are reported to take up greater amounts of copper than normal cells. Preliminary study revealed that the newly synthesised copper complex [Cu(SBCM)2] displayed marked anti-proliferative towards triple-negative

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