assay
90%
bp
110-112 °C/0.4 mmHg (lit.)
mp
33-38 °C (lit.)
functional group
bromo, ketone
SMILES string
BrC1Cc2ccccc2C1=O
InChI
1S/C9H7BrO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8H,5H2
InChI key
UXVCSPSWUNMPMT-UHFFFAOYSA-N
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.
signalword
Danger
hcodes
Hazard Classifications
Skin Corr. 1B
存储类别
8A - Combustible corrosive hazardous materials
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
The synthesis of derivatives of 1-indanone and indenone.
House HO, et al.
Journal of the American Chemical Society, 82(6), 1452-1457 (1960)
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