463507
2-Bromo-1-indanone
90%
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About This Item
Empirical Formula (Hill Notation):
C9H7BrO
CAS Number:
Molecular Weight:
211.06
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Product Name
2-Bromo-1-indanone, 90%
InChI
1S/C9H7BrO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8H,5H2
SMILES string
BrC1Cc2ccccc2C1=O
InChI key
UXVCSPSWUNMPMT-UHFFFAOYSA-N
assay
90%
bp
110-112 °C/0.4 mmHg (lit.)
mp
33-38 °C (lit.)
functional group
bromo
ketone
General description
2-Bromo-1-indanone is a halogenated indanone. It can be obtained via bromination of 1-indanone.
Application
2-Bromo-1-indanone may be used in the preparation of trans-2-benzal-1-indanone epoxide via Darzens-type condensation with benzaldehyde. It may also be employed as substrate to investigate the substrate specificity of recombinant β-keto ester reductase (KER) of Penicillium citrinum.
Hazard Classifications
Skin Corr. 1B
signalword
Danger
hcodes
Storage Class
8A - Combustible corrosive hazardous materials
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
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Expoxy ketones. VII. The stereochemistry of spiroepoxy ketones. Reactions of 2-benzal-1-indanone oxide.
Cromwell NH and Martin JL.
The Journal of Organic Chemistry, 33(5), 1890-1894 (1968)
N Itoh et al.
Applied microbiology and biotechnology, 66(1), 53-62 (2004-09-01)
A novel beta-keto ester reductase (KER) was purified to homogeneity from recombinant Escherichia coli (pTrcKER) cells, which efficiently expressed the ker gene cloned from Penicillium citrinum IFO4631. The enzyme was monomeric and had a molecular mass of 37 kDa. It
The synthesis of derivatives of 1-indanone and indenone.
House HO, et al.
Journal of the American Chemical Society, 82(6), 1452-1457 (1960)
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