Methyl 2-amino-3-oxobutanoate

Basic Information

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CAS Number

68277-01-0

Molecular Formula

C5H9NO3

Molecular Weight

131.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

85-86 ºC

Boiling Point

167.5 ºC

Density

1.133

Flash Point

51.4 ºC

SMILES

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CC(=O)C(C(=O)OC)N

InChI

InChI=1S/C5H9NO3/c1-3(7)4(6)5(8)9-2/h4H,6H2,1-2H3

InChIKey

JJJKPDCCZFMOJD-UHFFFAOYSA-N

LogP

-0.9243000000000001

Topological Polar Surface Area

69.39 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

132

Synonyms & References

English

methyl 2-amino-3-oxo-butanoate
Methyl 2-amino-3-oxobutanoate
SCHEMBL2930776
AKOS006329438
2-amino-3-oxo-butyric acid methyl ester
FT-0650601
Methyl2-amino-3-oxobutanoate
DTXSID20476541
68277-01-0
Butanoic acid, 2-amino-3-oxo-, methyl ester
EN300-95873
A836070
methyl 3-methyl-amino-3-oxopropionate
JJJKPDCCZFMOJD-UHFFFAOYSA-N
2-Amino-3-oxobutanoic acid methyl ester
Butanoic acid, 2-amino-3-oxo-, methyl este
Methyl2-amino-3-oxobutanoateHclsalt
(S)-3-Phenylmorpholine Hydrochloride
Methyl-2-aminoacetoacetat

MDL Number

MFCD09751073

Customs Code

2922509090

FAQ

What are the physical and chemical properties of Methyl 2-amino-3-oxobutanoate (CAS: 68277-01-0)?

Methyl 2-amino-3-oxobutanoate (CAS: 68277-01-0) is a white crystalline solid with a molecular weight of 119.12 g/mol. It has a solubility of 1.4 g/L in water and is slightly soluble in ethanol. It is moderately reactive, particularly under basic conditions. It can undergo nucleophilic substitution and condensation reactions.

How is Methyl 2-amino-3-oxobutanoate (CAS: 68277-01-0) typically synthesized?

Methyl 2-amino-3-oxobutanoate (CAS: 68277-01-0) can be synthesized by the amidation of methyl 2-oxobutanoate with ammonia. The reaction is typically catalyzed by a strong base like potassium carbonate in an aprotic solvent like dimethylformamide (DMF). The yield is usually above 85% with good regioselectivity.

What industries use Methyl 2-amino-3-oxobutanoate (CAS: 68277-01-0)?

Methyl 2-amino-3-oxobutanoate (CAS: 68277-01-0) is primarily used in the pharmaceutical industry for the synthesis of various drugs. It is also used in the production of some polymers and as a reagent in chemical research. Its applications in sensors and semiconductors are still under development.

What precautions should be taken when handling Methyl 2-amino-3-oxobutanoate (CAS: 68277-01-0)?

When handling Methyl 2-amino-3-oxobutanoate (CAS: 68277-01-0), it is recommended to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Store it in a cool, dry place away from direct sunlight. In case of a spill, use a fume hood and follow standard spill control procedures. Always refer to the Safety Data Sheet (SDS) for detailed information.