Methyl 2-bromo-3-methylbutanoate

Basic Information

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CAS Number

26330-51-8

Molecular Formula

C6H11BrO2

Molecular Weight

195.06 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Boiling Point

177°C (rough estimate)

Flash Point

60.8 ºC

Refractive Index

1.4530 (estimate)

SMILES

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

InChI

InChI=1S/C6H11BrO2/c1-4(2)5(7)6(8)9-3/h4-5H,1-3H3

InChIKey

CKDTYRDFEIGXNO-UHFFFAOYSA-N

LogP

1.5789

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

101

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

NSC21975
2-Bromo-3-methylbutyric acid methyl ester
Methyl 2-bromoisovalerate
NSC-21975
Butanoic acid, 2-bromo-3-methyl-, methyl ester
MFCD00798412
Methyl 2-bromo-3-methylbutyrate
J-521956
26330-51-8
SCHEMBL1459718
70332-52-4
Methyl 2-broMoisovalerate inverted exclamation mark inverted exclamation mark
CKDTYRDFEIGXNO-UHFFFAOYSA-N
CS-0030485
GS-3331
J-016385
methyl 2-bromo-3-methylbutanoate
EN300-28731
FT-0651089
AKOS006229761
AM20090325
SY102383
DTXSID40281558
Methyl 2-bromo-3-methylbutanoate
Methyl 2-bromo-3-methylbutyrat
methyl 2-bromo-3-methylbutanoic ester
methyl 2-bromo-3-methylbutyrate
Butyricacid, 2-bromo-3-methyl-, methyl ester (6CI,8CI)
2-Bromo-3-methylbutyric acidmethyl ester
Methyl a-bromo-b-methylbutyrate
Methyl a-bromoisovalerate

MDL Number

MFCD00798412

Customs Code

2915900090

FAQ

What are the physical and chemical properties of Methyl 2-bromo-3-methylbutanoate (CAS: 26330-51-8)?

Methyl 2-bromo-3-methylbutanoate is a crystalline solid with a molecular weight of approximately 215 g/mol. It has a low solubility in water but is soluble in organic solvents like acetone and ethanol. Chemically, it is relatively stable but can react under basic conditions to form bromide ions. It is commonly used as a brominating agent in organic synthesis.

How is Methyl 2-bromo-3-methylbutanoate (CAS: 26330-51-8) typically synthesized?

Methyl 2-bromo-3-methylbutanoate is typically synthesized through bromination of 2-methyl-3-methylbutyric acid. The reaction is carried out in the presence of a suitable base like sodium hydride or sodium hydroxide, yielding a high yield and good selectivity.

What industries use Methyl 2-bromo-3-methylbutanoate (CAS: 26330-51-8)?

Methyl 2-bromo-3-methylbutanoate is primarily used in the pharmaceutical industry for the synthesis of various brominated compounds, which are important intermediates in drug discovery. It also finds applications in the polymer industry for modifying the properties of polymers.

What precautions should be taken when handling Methyl 2-bromo-3-methylbutanoate (CAS: 26330-51-8)?

When handling Methyl 2-bromo-3-methylbutanoate, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The substance should be handled in a fume hood to minimize exposure. Spills should be managed using absorbent pads, and the material safety data sheet (MSDS) should be consulted for proper disposal and emergency procedures.