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214671

3-Acetylcoumarin

Name: 3-Acetylcoumarin
Brand: ALDRICH

96%

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About This Item

Empirical Formula (Hill Notation):

C₁₁H₈O₃

CAS Number:

3949-36-8

Molecular Weight:

188.18

NACRES:

NA.22

PubChem Substance ID:

24852845

UNSPSC Code:

12352100

EC Number:

223-541-6

MDL number:

MFCD00006853

Assay:

96%

Form:

solid

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Properties

Quality Level

100

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

Description

General description

FTIR and FT-Raman spectra of 3-acetylcoumarin has been reported. 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.

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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Synthesis of new substituted chromen[4,3-c]pyrazol-4-ones and their antioxidant activities.

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

FTIR, FT-Raman, FT-NMR and quantum chemical investigations of 3-acetylcoumarin.

V Arjunan et al.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 109, 79-89 (2013-03-19)

3-Acetylcoumarin (3AC) was synthesised by a Knoevenagel reaction. Conformational analysis using the B3LYP method was also carried out to determine the most stable conformation of the compound. FTIR and FT-Raman spectra of 3AC have been recorded in the range 4000-400

Synthesis and antioxidant evaluation of some new 3-substituted coumarins.

Wafaa S Hamama et al.

Archiv der Pharmazie, 344(11), 710-718 (2011-09-29)

3-Acetylcoumarin (1) was utilized as a key intermediate for the synthesis of 2-aminothiazole derivative 3 via bromination of 1 to afford acetylbromide 2 followed by treatment with thiourea or via Biginelli reaction of 1. Treatment of 3 with 5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde, 2-methyl-4H-benzo[d][1,3]oxazin-4-one

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Global Trade Item Number

SKU	GTIN
214671-5G	04061833464656