5-Methyl-1,2,4-oxadiazole-3-carboxylic acid

Basic Information

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CAS Number

19703-92-5

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 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

Melting Point

90 ºC

SMILES

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CC1=NC(=NO1)C(=O)O

InChI

InChI=1S/C4H4N2O3/c1-2-5-3(4(7)8)6-9-2/h1H3,(H,7,8)

InChIKey

UGENJCBDFKUWDO-UHFFFAOYSA-N

LogP

0.0762199999999999

Topological Polar Surface Area

76.22 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

127

Synonyms & References

English

5-Methyl-1 pound not2 pound not4-oxadiazole-3-carboxylic Acid
5-Methyl-1,2,4-oxadiazole-3-carboxylic acid
19703-92-5
DTXSID00634263
A880062
SY026691
5-METHYL-1,2,4-OXADIAZOLE-3-CARBOXYLICACID
SCHEMBL1760325
TS-00013
EN300-80538
A1-01001
MFCD08236814
BCP21985
5-Methyl-1,2,4-oxadiazole-3-carboxylic acid, AldrichCPR
BB 0257126
AMY40023
AB44082
UGENJCBDFKUWDO-UHFFFAOYSA-N
FT-0755685
AKOS012689278
1,2,4-Oxadiazole-3-carboxylicacid, 5-methyl-
5-Methyl-1,2,4-oxadiazol-3-carbonsaeure
1,2,4-OXADIAZOLE-3-CARBOXYLIC ACID, 5-METHYL-
SBB053248
6632AD
NE53116
5-methyl-1,2,4-oxadiazole-3-carboxylic acid
5-Methyl-[1,2,4]oxadiazole-3-carboxylic acid

MDL Number

MFCD08236814

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 5-Methyl-1,2,4-oxadiazole-3-carboxylic acid (CAS: 19703-92-5)?

5-Methyl-1,2,4-oxadiazole-3-carboxylic acid is a colorless to white crystalline solid with a molecular weight of approximately 154.14 g/mol. It is slightly soluble in water and ethanol. Chemically, it is reactive towards nucleophiles and can participate in condensation reactions. It is also known for its ability to form stable complexes with metal ions.

How is 5-Methyl-1,2,4-oxadiazole-3-carboxylic acid (CAS: 19703-92-5) typically synthesized?

5-Methyl-1,2,4-oxadiazole-3-carboxylic acid can be synthesized via various methods, including the condensation of 5-methylisoxazole-3-carboxylic acid with hydrogen cyanide followed by hydrolysis. This process yields the target compound with high selectivity and good yield. Other routes involve the reaction of methyl isoxazole-3-carboxylate with methyl isothiocyanate, followed by hydrolysis and oxidation.

What industries use 5-Methyl-1,2,4-oxadiazole-3-carboxylic acid (CAS: 19703-92-5)?

5-Methyl-1,2,4-oxadiazole-3-carboxylic acid finds applications in the pharmaceutical industry as a precursor for drug synthesis, particularly in the development of anti-inflammatory and anti-cancer drugs. It is also utilized in the polymer industry for the preparation of functional polymers and in the chemical sensor industry for the fabrication of gas sensors.

What precautions should be taken when handling 5-Methyl-1,2,4-oxadiazole-3-carboxylic acid (CAS: 19703-92-5)?

When handling 5-Methyl-1,2,4-oxadiazole-3-carboxylic acid, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and lab coat. Work should be conducted in a well-ventilated area or a fume hood to prevent inhalation of dust. In the event of a spill, it should be carefully cleaned up using appropriate absorbents. Always refer to the safety data sheet (SDS) for detailed safety guidelines.