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5-Tert-butyl-1,2,4-oxadiazole-3-carboxylic acid(CAS: 748743-73-9)

5-Tert-butyl-1,2,4-oxadiazole-3-carboxylic acid
CAS Number

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Basic Information

Molecular Formula
C7H10N2O3
Molecular Weight
170.17 g/mol

Chemical Identifiers

SMILES
CC(C)(C)C1=NC(=NO1)C(=O)O
InChIKey
FHJXCPARNFHMSZ-UHFFFAOYSA-N

Database References

MDL Number
MFCD11847845

FAQ

5-Tert-butyl-1,2,4-oxadiazole-3-carboxylic acid is a white crystalline solid with a molecular weight of approximately 206.25 g/mol. It is slightly soluble in water but more soluble in organic solvents like methanol and acetone. The compound shows moderate reactivity, particularly in acid and base catalysis, and its thermal stability is good up to 150°C.
5-Tert-butyl-1,2,4-oxadiazole-3-carboxylic acid is typically synthesized by reacting tert-butyl isothiocyanate with sodium oxalyl hydrazide. The reaction is conducted in a suitable solvent, often dimethylformamide (DMF). The process involves the formation of an intermediate isothiocyanate, followed by its reaction with sodium oxalyl hydrazide to yield the final product. Yield is generally around 70-80%.
5-Tert-butyl-1,2,4-oxadiazole-3-carboxylic acid is used in various industries, including pharmaceuticals for its potential as a precursor in drug synthesis, and in the production of polymers where it serves as a monomer. It also finds application in the development of sensors and semiconductors due to its unique chemical properties.
When handling 5-Tert-butyl-1,2,4-oxadiazole-3-carboxylic acid, it is important to wear appropriate personal protective equipment (PPE), such as gloves and safety goggles. The compound should be stored in a well-ventilated area and handled in a fume hood to minimize inhalation risks. In case of spills, immediate cleanup should be performed using appropriate absorbents, and the area should be properly ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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