2-Amino-1,3-oxazole-5-carboxylic acid

Basic Information

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CAS Number

881637-11-2

Molecular Formula

C4H4N2O3

Molecular Weight

128.09 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

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

SMILES

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C1=C(OC(=N1)N)C(=O)O

InChI

InChI=1S/C4H4N2O3/c5-4-6-1-2(9-4)3(7)8/h1H,(H2,5,6)(H,7,8)

InChIKey

VHGLIMPSBPUNSX-UHFFFAOYSA-N

LogP

-0.04499999999999993

Topological Polar Surface Area

89.35000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

127

Synonyms & References

English

Z1198322955
VHGLIMPSBPUNSX-UHFFFAOYSA-N
CS-0372606
2-amino-1,3-oxazole-5-carboxylic acid
AKOS006283922
SCHEMBL1838907
MFCD11504937
881637-11-2
AT18681
BS-24009
DTXSID20674707
2-AMINOOXAZOLE-5-CARBOXYLIC ACID
EN300-150226
2-AMINOOXAZOLE-5-CARBOXYLICACID
A862305
2-Aminooxazole-5-carboxylic acid
C4H4N2O3
2-Amino-oxazole-5-carboxylic acid

MDL Number

MFCD11504937

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 2-Amino-1,3-oxazole-5-carboxylic acid (CAS: 881637-11-2)?

2-Amino-1,3-oxazole-5-carboxylic acid (CAS: 881637-11-2) is a white to off-white crystalline solid. It has a molecular weight of approximately 167.17 g/mol and a solubility in water of 1.96 g/L at 25°C. This compound is moderately reactive, particularly with bases and certain nucleophiles. It can form salts and esters, and has been used in synthesis as a versatile building block.

How is 2-Amino-1,3-oxazole-5-carboxylic acid (CAS: 881637-11-2) typically synthesized?

2-Amino-1,3-oxazole-5-carboxylic acid (CAS: 881637-11-2) can be synthesized via the condensation of oxalic acid with aniline. Alternatively, it can be prepared from the reaction of 5-amino-1,3-oxazole with acetic anhydride. The yield is typically around 70-80%, and the reaction is performed under mild conditions, often in the presence of a catalyst such as pyridine.

What industries use 2-Amino-1,3-oxazole-5-carboxylic acid (CAS: 881637-11-2)?

2-Amino-1,3-oxazole-5-carboxylic acid (CAS: 881637-11-2) is used in the pharmaceutical industry as an intermediate for the synthesis of various drugs. It is also used in polymer chemistry for the preparation of functionalized polymers, in sensor technology for the development of chemical sensors, and in semiconductor applications as a precursor for thin film deposition processes.

What precautions should be taken when handling 2-Amino-1,3-oxazole-5-carboxylic acid (CAS: 881637-11-2)?

When handling 2-Amino-1,3-oxazole-5-carboxylic acid (CAS: 881637-11-2), wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. Work in a well-ventilated area or fume hood to avoid inhalation of dust or aerosols. Handle spills with appropriate absorbent materials and dispose of according to local regulations. Always consult the safety data sheet (SDS) for specific handling and disposal instructions.