CAS 817172-31-9

3-(1,1-Dimethylethyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxaldehyde

Description:

3-(1,1-Dimethylethyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxaldehyde, with the CAS number 817172-31-9, is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features a carboxaldehyde functional group, which is indicative of its reactivity and potential applications in organic synthesis. The presence of a nitro group at the 4-position contributes to its electronic properties, making it a candidate for various chemical reactions, including nucleophilic substitutions. The tert-butyl group (1,1-dimethylethyl) at the 3-position enhances its steric bulk, potentially influencing its solubility and interaction with biological targets. This compound may exhibit interesting biological activities, making it of interest in medicinal chemistry and agrochemical research. Its unique structure allows for the exploration of its properties in various chemical environments, and it may serve as a building block for more complex molecules in synthetic chemistry.

Formula: C₉H₁₃N₃O₃

InChI: InChI=1S/C9H13N3O3/c1-9(2,3)8-7(12(14)15)6(5-13)11(4)10-8/h5H,1-4H3

InChI key: InChIKey=JRNHTVSDVAZTAJ-UHFFFAOYSA-N

SMILES: N(=O)(=O)C=1C(C(C)(C)C)=NN(C)C1C=O

Synonyms:

• 1H-Pyrazole-5-carboxaldehyde,3-(1,1-dimethylethyl)-1-methyl-4-nitro-(9CI)
• 3-(1,1-Dimethylethyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxaldehyde
• 1H-Pyrazole-5-carboxaldehyde, 3-(1,1-dimethylethyl)-1-methyl-4-nitro-
• 3-(Tert-butyl)-1-methyl-4-nitro-1H-pyrazole-5-carbaldehyde

3-tert-Butyl-1-methyl-4-nitro-1H-pyrazole-5-carboxldehyde

CAS: 817172-31-9

Formula: C₉H₁₃N₃O₃

Color and Shape: Solid

Molecular weight: 211.221

Ref: 10-F015629