1-Bromopinacolone

CAS No.：5469-26-1

Important Notice

This product is a chemical product/pharmaceutical intermediate. It is not a drug, an active pharmaceutical ingredient (API), or a pharmaceutical-grade material. It has not been granted a drug approval number or a Chemical Drug Substance Approval Notice, has not passed drug-related review and approval, and is not manufactured, tested, or released in accordance with pharmaceutical GMP.
This product is intended solely for non-clinical research, process development, quality studies, further chemical processing, or chemical synthesis. It must not be used in drug-product manufacturing, clinical trials, clinical diagnosis, or administration to humans or animals, or be sold, used as an input, submitted for regulatory filing, or released as an API or pharmaceutical material.
The purchaser must not use this product, or supply it to another party, for personal consumption, sports or fitness, weight loss, health supplements, food, or animal feed.

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1-Bromopinacolone Basic information

Product Name:	1-Bromopinacolone
Synonyms:	omega-brompinakolin;Pivaloylmethyl bromide;pivaloylmethylbromide;tert-Butyl Bromomethyl ketone;2-Butanone, 1-bromo-3,3-dimethyl-;1-BROMOPINACOLONE, 97+%;1-BROMOPINACOLONE, TECH., CA. 90%;Bromopinacolone
CAS:	5469-26-1
MF:	C6H11BrO
MW:	179.05
EINECS:	226-794-0
Product Categories:	Building Blocks;C3 to C6;Carbonyl Compounds;Chemical Synthesis;Ketones;Organic Building Blocks
Mol File:	5469-26-1.mol

1-Bromopinacolone Chemical Properties

Melting point	-10 °C (lit.)
Boiling point	188-194 °C (lit.)
density	1.331 g/mL at 25 °C (lit.)
refractive index	n20/D 1.466(lit.)
Fp	195 °F
storage temp.	-20°C
solubility	Chloroform, Methanol
form	Liquid
color	Clear pale yellow to yellow-brownish
Water Solubility	Insoluble in water.
BRN	506485
InChIKey	SAIRZMWXVJEBMO-UHFFFAOYSA-N
CAS DataBase Reference	5469-26-1(CAS DataBase Reference)
NIST Chemistry Reference	2-Butanone, 1-bromo-3,3-dimethyl-(5469-26-1)

Safety Information

Hazard Codes	Xi,F
Risk Statements	36/37/38
Safety Statements	26-37/39
RIDADR	1224
WGK Germany	3
RTECS	EL7010000
F	8-10-21
Hazard Note	Irritant/Flammable
HazardClass	3.2
PackingGroup	III
HS Code	29147000

MSDS Information

Provider	Language
Bromomethyl tert-butyl ketone	English
SigmaAldrich	English
ACROS	English
ALFA	English

1-Bromopinacolone Usage And Synthesis

Chemical Properties	clear pale yellow to yellow-brownish liquid
Uses	1-Bromopinacolone is used as an iIntermediate for triazole compounds ( a five-membered ring structure compound contains three nitrogens and two carbons in the ring) which have biological activities such as antiviral, antibacterial, antifungal and antituberculous.
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.

1-Bromopinacolone Preparation Products And Raw materials

Raw materials	Methanol-->Diethyl ether-->Dichloromethane-->Pinacolone-->Tetrabutylammonium tribromide
Preparation Products	3,3-Dibromo-2,2-dimethylbutane-->1-(4-chloro-phenyl)-4,4-dimethyl-2-[1,2,4]triazol-1-yl-pentan-3-one-->Pivaloylacetonitrile-->1,1-DIBROMOPINACOLONE

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