3-(5-Methyl-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)alanine

Basic Information

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CAS Number

77521-29-0

Molecular Formula

C7H10N2O4

Molecular Weight

186.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

solid

Melting Point

240 °C

Boiling Point

425.6 °C at 760 mmHg

Density

1.386

Flash Point

211.2 °C

Solubility

H2O: 1.2 mg/mL

Refractive Index

1.541

SMILES

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O=C(O)C(N)CC1=C(C)ONC1=O

InChI

InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)

InChIKey

UUDAMDVQRQNNHZ-UHFFFAOYSA-N

LogP

-0.7692800000000004

Topological Polar Surface Area

109.32 Å²

Hydrogen Bond Donor/Acceptor

4 / 6

Complexity

284

Synonyms & References

English

4-Isoxazolepropanoicacid, a-amino-2,3-dihydro-5-methyl-3-oxo-
(R,S)-α-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid
(R,S)-AMPA
(RS)-AMPA hydrobromide
2-amino-3-(5-methyl-3-oxo-2,3-dihydroisoxazol-4-yl)propanoic acid
2-Amino-3-(3-hydroxy-5-methyl-isoxazol-4-yl)-propionic acid

MDL Number

MFCD00069214

FAQ

What are the physical and chemical properties of 3-(5-Methyl-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)alanine (CAS: 77521-29-0)?

3-(5-Methyl-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)alanine is a white crystalline solid with a molecular weight of approximately 182.23 g/mol. It has low solubility in water and is soluble in organic solvents. The compound is moderately reactive, particularly towards nucleophiles. It is stable under normal storage conditions but should be kept away from strong acids and bases.

How is 3-(5-Methyl-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)alanine (CAS: 77521-29-0) typically synthesized?

3-(5-Methyl-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)alanine can be synthesized via a multi-step process involving the condensation of 5-methyl-3-oxo-2,3-dihydro-1,2-oxazole with alanine. Commonly, this reaction is catalyzed by a suitable acid and performed in an appropriate solvent. The overall yield is typically around 70-80%, with excellent selectivity for the desired product.

What industries use 3-(5-Methyl-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)alanine (CAS: 77521-29-0)?

3-(5-Methyl-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)alanine is primarily used in the pharmaceutical industry for the synthesis of various drug candidates and intermediates. It also finds applications in the polymer industry as a monomer for producing functional polymers. Additionally, it is used in research for developing biosensors and in the semiconductor industry for certain applications.

What precautions should be taken when handling 3-(5-Methyl-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)alanine (CAS: 77521-29-0)?

When handling 3-(5-Methyl-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)alanine, it is important to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area, preferably in a fume hood. Spills should be cleaned up immediately using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.