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324922

(−)-Methyl (S)-3-bromo-2-methylpropionate

97%

Synonym(s):

(−)-Methyl (S)-β-bromoisobutyrate

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About This Item

Linear Formula:
BrCH2CH(CH3)CO2CH3
CAS Number:
98190-85-3
Molecular Weight:
181.03
UNSPSC Code:
12352101
NACRES:
NA.22
PubChem Substance ID:
24859479
MDL number:
MFCD00064487
Beilstein/REAXYS Number:
1720832
Assay:
97%
Form:
liquid
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Quality Level

200

assay

97%

form

liquid

optical activity

[α]20/D −23 to −16°, c = 5 neat

optical purity

ee: 99% (GLC)

refractive index

n20/D 1.455 (lit.)

bp

97.5-98.5 °C/62 mmHg (lit.)

density

1.422 g/mL at 25 °C (lit.)

functional group

bromo, ester

SMILES string

COC(=O)[C@H](C)CBr

InChI

1S/C5H9BrO2/c1-4(3-6)5(7)8-2/h4H,3H2,1-2H3/t4-/m1/s1

InChI key

FKWNAVCXZSQYTA-SCSAIBSYSA-N

Application

(−)-Methyl (S)-3-bromo-2-methylpropionate can be used:
  • As a reference substrate in the alkylation reactions of vitamin B12 derivatives.
  • As a starting material in the preparation of biologically significant 3-[(2H-1,2,4-benzothiadiazine-1,1-dioxide-3-yl)thio]-2-methylpropanoic acids.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

163.4 °F - closed cup

flash_point_c

73 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
0000089441
BGBB2876
06710DW
05129LD
19213DI

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Stereospecific synthesis of 3-[(2H-1, 2, 4-Benzothiadiazine-1, 1-dioxide-3-yl) thio]-2-methylpropanoic acids
Tait A, et al.
Tetrahedron Asymmetry, 7(9), 2703-2706 (1996)
Hydrophobic vitamin B12. Part 12. Preparation, characterization and enantioselective alkylation of strapped hydrophobic-vitamin B12
Murakami Y, et al.
J. Chem. Soc. Perkin Trans. II, 1175-1183 (1995)

Global Trade Item Number

SKUGTIN
324922-5G04061837393242