5-Tert-butyl-1,2,4-oxadiazole-3-carboxylic acid | CAS No. 748743-73-9

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

Basic Information

CAS Number

748743-73-9

Molecular Formula

C7H10N2O3

Molecular Weight

170.17 g/mol

AD

Basic Physical Properties

CC(C)(C)C1=NC(=NO1)C(=O)O

InChI

InChI=1S/C7H10N2O3/c1-7(2,3)6-8-4(5(10)11)9-12-6/h1-3H3,(H,10,11)

InChIKey

FHJXCPARNFHMSZ-UHFFFAOYSA-N

LogP

1.0653

Topological Polar Surface Area

76.22 Ų

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

188

Synonyms & References

English

  • Z1136435761
  • 5-(tert-Butyl)-1,2,4-oxadiazole-3-carboxylic acid
  • 1,2,4-Oxadiazole-3-carboxylicacid, 5-(1,1-dimethylethyl)-
  • 748743-73-9
  • SCHEMBL8965367
  • CS-0112598
  • D77090
  • FHJXCPARNFHMSZ-UHFFFAOYSA-N
  • 5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid(Sodium salt form)
  • 5-tert-Butyl-[1,2,4]oxadiazole-3-carboxylic acid
  • 5-TERT-BUTYL-1,2,4-OXADIAZOLE-3-CARBOXYLIC ACID
  • DTXSID20599901
  • 5-(tert-Butyl)-1,2,4-oxadiazole-3-carboxylicacid
  • 1,2,4-oxadiazole-3-carboxylic acid,5-tert-butyl-
  • EN300-111462
  • AKOS012689281
  • 1,2,4-Oxadiazole-3-carboxylicacid,5-(1,1-dimethylethyl)-(9CI)
  • 5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid

MDL Number

MFCD11847845

FAQ

What are the physical and chemical properties of 5-Tert-butyl-1,2,4-oxadiazole-3-carboxylic acid (CAS: 748743-73-9)?

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.

How is 5-Tert-butyl-1,2,4-oxadiazole-3-carboxylic acid (CAS: 748743-73-9) typically synthesized?

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%.

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

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.

What precautions should be taken when handling 5-Tert-butyl-1,2,4-oxadiazole-3-carboxylic acid (CAS: 748743-73-9)?

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.

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