Methyl (2S)-3-bromo-2-methylpropanoate

Basic Information

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CAS Number

98190-85-3

Molecular Formula

C5H9BrO2

Molecular Weight

181.03 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

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

97.5-98.5 °C/62 mmHg

Density

1.422 g/mL at 25 °C

Refractive Index

n20/D 1.455(lit.)

SMILES

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CC(CBr)C(=O)OC

InChI

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

InChIKey

FKWNAVCXZSQYTA-SCSAIBSYSA-N

LogP

1.1904000000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

82.5

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

Methyl 3-bromo-2-methylpropanoate #
Methyl (S)-(-)-3-Bromoisobutyrate
T71508
(S)-3-bromo-2-methylpropionic acid methyl ester
Propanoic acid, 3-bromo-2-methyl-, methyl ester, (2S)-
MFCD00064487
methyl (s)-3-bromo-2-methylpropanoate
FKWNAVCXZSQYTA-SCSAIBSYSA-N
Methyl (S)-(-)-3-Bromo-2-methylpropionate
(S)-3-Bromo-2-methyl-propionic acid methyl ester
Propanoic acid,3-bromo-2-methyl-,methyl ester,(2S)-
B2140
(S)-(-)-3-BROMOISOBUTYRICACIDMETHYLESTER
BDBM36060
BS-18020
(-)-Methyl (S)-3-bromo-2-methylpropionate
AKOS015833847
methyl (2S)-3-bromo-2-methylpropanoate
Methyl (2S)-3-bromo-2-methyl-propanoate
SCHEMBL2534589
AMY14235
(S)-methyl 3-bromo-2-methylpropanoate
(S)-3-bromoisobutyric acid methyl ester
(S)-(-)-Methyl 3-bromo-2-methylpropionate
(S)-(-)-3-Bromo-2-methylpropionic Acid Methyl Ester
(-)-Methyl (S)-3-bromo-2-methylpropionate, 97%
DTXSID70420478
(S)-(-)-3-Bromoisobutyric Acid Methyl Ester
methyl(s)-3-bromo-2-methylpropanoate
Methyl (S)-(-)-3-bromo-2-methyl-propionate
(-)-Methyl (S)-3-bro mo-2-methylpropionate

MDL Number

MFCD00064487

Customs Code

2915900090

FAQ

What are the physical and chemical properties of Methyl (2S)-3-bromo-2-methylpropanoate (CAS: 98190-85-3)?

Methyl (2S)-3-bromo-2-methylpropanoate is a colorless liquid with a molecular weight of approximately 184.03 g/mol. It has a melting point of -36°C and a boiling point of 132-134°C. The compound is slightly soluble in water but miscible with many organic solvents. It is a reactive compound due to the presence of a bromine atom, making it prone to nucleophilic substitution reactions.

How is Methyl (2S)-3-bromo-2-methylpropanoate (CAS: 98190-85-3) typically synthesized?

Methyl (2S)-3-bromo-2-methylpropanoate is typically synthesized via a bromination reaction of 2-methyl-3-methylpropanol with bromine in the presence of a base such as potassium hydroxide. The reaction is carried out in an aprotic solvent like acetone. The yield is generally good, with selectivity towards the (2S) configuration.

What industries use Methyl (2S)-3-bromo-2-methylpropanoate (CAS: 98190-85-3)?

Methyl (2S)-3-bromo-2-methylpropanoate is used in various industries, including pharmaceuticals for the synthesis of certain drugs, and in the production of polymers for their specific mechanical properties. It is also used in the development of sensors and as a building block in semiconductor manufacturing.

What precautions should be taken when handling Methyl (2S)-3-bromo-2-methylpropanoate (CAS: 98190-85-3)?

When handling Methyl (2S)-3-bromo-2-methylpropanoate, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety glasses, and lab coat. Work should be done in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbents. Refer to the Safety Data Sheet (SDS) for detailed emergency response procedures and storage conditions.