ChemicalBook--->CAS DataBase List--->58677-34-2

58677-34-2

58677-34-2 Structure

58677-34-2 Structure
IdentificationBack Directory
[Name]

4-methyl-1,2,5-oxadiazole-3-carboxylic acid
[CAS]

58677-34-2
[Synonyms]

4-methyl-1,2,5-oxadiazole-3-carboxylic acid(SALTDATA: FREE)
[Molecular Formula]

C4H4N2O3
[MDL Number]

MFCD00461519
[MOL File]

58677-34-2.mol
[Molecular Weight]

128.09
Chemical PropertiesBack Directory
[Melting point ]

74 °C
[Boiling point ]

286.5±32.0 °C(Predicted)
[density ]

1.464±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

Acetone (Sparingly), Methanol (Slightly)
[form ]

Solid
[pka]

2.34±0.32(Predicted)
[color ]

White to Off-White
[InChI]

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

GAIAHHRZVGJYQW-UHFFFAOYSA-N
[SMILES]

O1N=C(C)C(C(O)=O)=N1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HazardClass ]

IRRITANT
[HS Code ]

2934999090
Hazard InformationBack Directory
[Uses]

4-?Methyl-?1,?2,?5-?oxadiazole-?3-?carboxylic Acid is a reactant in the preparation of a novel glycogen synthase kinase-?3β Inhibitor which may be used in the treatment of bipolar disorder, treating mania and depression.
[Synthesis]

4-Methyl-1,2,5-oxadiazole-3-carboxylic acid can be prepared from succinic anhydride and dimethylglyoxime in a two-step reaction.
Spectrum DetailBack Directory
[Spectrum Detail]

4-methyl-1,2,5-oxadiazole-3-carboxylic acid(58677-34-2)1HNMR
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