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579920

3-(Bromoacetyl)coumarin

Name: 3-(Bromoacetyl)coumarin
Brand: ALDRICH

97%

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About This Item

Empirical Formula (Hill Notation):

C₁₁H₇BrO₃

CAS Number:

29310-88-1

Molecular Weight:

267.08

NACRES:

NA.22

PubChem Substance ID:

24881020

UNSPSC Code:

12352100

MDL number:

MFCD00488331

Assay:

97%

Form:

solid

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Properties

Quality Level

200

assay

97%

form

solid

mp

164-168 °C (lit.)

functional group

bromo, ester, ketone

SMILES string

BrCC(=O)C1=Cc2ccccc2OC1=O

InChI

1S/C11H7BrO3/c12-6-9(13)8-5-7-3-1-2-4-10(7)15-11(8)14/h1-5H,6H2

InChI key

NTYOLVNSXVYRTJ-UHFFFAOYSA-N

Description

General description

3-(Bromoacetyl)coumarin can be synthesized via the bromination of 3-acetylcoumarin in chloroform.

Application

3-(bromoacetyl)coumarin may be used in the synthesis of the following:

3-(bromoacetyl)coumarin oxime via reaction with hydroxylamine hydrochloride in methanol
3-(bromoacetyl)coumarin-O-methyloxime via reaction with O-benzylhydroxylammonium chloride/diluted HCl in methanol
3-(bromoacetyl)coumarin-O-benzyloxime via reaction with O-benzyl hydroxylamine hydrochloride in methanol
3-[2′-(2′′-arylidenehydrazinyl)thiazolyl]coumarins via reaction with benzaldehyde thiosemicarbazones

pictograms

GHS05,GHS07

signalword

Danger

hcodes

H302,H318

pcodes

P264 - P270 - P280 - P301 + P312 - P305 + P351 + P338 - P501

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number

0000510701

0000488296

0000445234

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"Synthesis and Oral Hypoglycemic Activity of 3-[5'-Methyl-2'-aryl-3'-(thiazol-2"-yl amino) thiazolidin-4'-one] coumarin Derivatives"

Kini D and Ghate M

Journal of Chemistry, 8(01), 386- 390 (2011)

"Synthesis and Antibacterial Activity of Quinolone-Based Compounds Containing a Coumarin Moiety"

Emami S, et al.

Arch. Pharm. (Weinheim), 341(01), 42-48 (2008)

Copper-redox cycling by coumarin-di(2-picolyl)amine hybrid molecule leads to ROS-mediated DNA damage and apoptosis: A mechanism for cancer chemoprevention.

Saman Khan et al.

Chemico-biological interactions, 290, 64-76 (2018-05-29)

Coumarin is an important bioactive pharmacophore. It is found in plants as a secondary metabolite and exhibits diverse pharmacological properties including anticancer effects against different malignancies. Therapeutic efficacy of coumarin derivatives depends on the pattern of substitution and conjugation with

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Global Trade Item Number

SKU	GTIN
308935-5G	04061833313626
579920-25G	04061832630076
579920-5G	04061832242569