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About This Item
Linear Formula:
(CH3)3CCOCH2Br
CAS Number:
Molecular Weight:
179.05
Beilstein:
506485
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Quality Level
Assay
≥97%
form
liquid
refractive index
n20/D 1.466 (lit.)
bp
188-194 °C (lit.)
mp
−10 °C (lit.)
density
1.331 g/mL at 25 °C (lit.)
functional group
bromo
ketone
storage temp.
−20°C
SMILES string
CC(C)(C)C(=O)CBr
InChI
1S/C6H11BrO/c1-6(2,3)5(8)4-7/h4H2,1-3H3
InChI key
SAIRZMWXVJEBMO-UHFFFAOYSA-N
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General description
1-Bromopinacolone is an α-bromoketone-aldehyde. Coupling of 1-bromopinacolone with various aldehyde electrophiles catalyzed by SmI2 has been reported. It acts as reversible competitive inhibitor for acetylcholinesterase, during hydrolysis of acetylcholine.
Application
1-Bromopinacolone is the suitable reagent for the synthesis of a photolabile azido derivative of the kaurene oxidase inhibitor 1-(4- chlorophenyl)4,4-dimethyl-2-(1,2,4-triazol-1-yl) pentan-3-ol (paclobutrazol). It may be used as reagent in the synthesis of 2-t-butyl-6-benzoylimidazo[1,2-b]pyridazine.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
167.0 °F - closed cup
Flash Point(C)
75 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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