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251003

2-Bromo-3-methylbutyric acid

Name: 2-Bromo-3-methylbutyric acid
Brand: ALDRICH

97%

Synonym(s):

α-Bromoisovaleric acid, 2-Bromoisovaleric acid

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About This Item

Linear Formula:

(CH₃)₂CHCHBrCOOH

CAS Number:

565-74-2

Molecular Weight:

181.03

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24855092

EC Number:

209-291-0

Beilstein/REAXYS Number:

1721146

MDL number:

MFCD00004210

Assay:

97%

Form:

solid

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Properties

Quality Level

200

assay

97%

form

solid

bp

124-126 °C/20 mmHg (lit.)

mp

39-42 °C (lit.)

solubility

alcohol: soluble(lit.), diethyl ether: soluble(lit.), water: very slightly soluble(lit.)

functional group

bromo, carboxylic acid

SMILES string

CC(C)C(Br)C(O)=O

InChI

1S/C5H9BrO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8)

InChI key

UEBARDWJXBGYEJ-UHFFFAOYSA-N

Description

General description

Mechanism of action of methylamine on optically active 2-bromo-3-methylbutyric acid has been investigated.

Application

2-Bromo-3-methylbutyric acid has been used in the preparation of optically active N-methylvalines.

pictograms

GHS05,GHS07

signalword

Danger

hcodes

H302 + H312,H314

pcodes

P260 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338

Hazard Classifications

Acute Tox. 4 Oral - Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 3

flash_point_f

224.6 °F - closed cup

flash_point_c

107 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

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Depsipeptides.

Ovchinnikov YA, et al.

Russian Chemical Bulletin, 11(11), 1955-1961 (1962)

Stereoselectivity of rat liver glutathione transferase isoenzymes for alpha-bromoisovaleric acid and alpha-bromoisovalerylurea enantiomers.

J M Te Koppele et al.

The Biochemical journal, 252(1), 137-142 (1988-05-15)

The stereoselectivity of purified rat GSH transferases towards alpha-bromoisovaleric acid (BI) and its amide derivative alpha-bromoisovalerylurea (BIU) was investigated. GSH transferase 2-2 was the only enzyme to catalyse the conjugation of BI and was selective for the (S)-enantiomer. The conjugation

Stereoselective conjugation of 2-bromocarboxylic acids and their urea derivatives by rat liver glutathione transferase 12-12 and some other isoforms.

M Polhuijs et al.

Biochemical pharmacology, 44(7), 1249-1253 (1992-10-06)

Glutathione (GSH) conjugation of the separate enantiomers of five 2-bromocarboxylic acids and some of their urea derivatives by rat liver GSH transferases (GSTs) was studied. The liver cytosolic fraction conjugated all compounds, except for (R)-2-bromoisovaleric acid, with a variable degree

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Global Trade Item Number

SKU	GTIN
251003-25G	04061825937519