CAS 32278-17-4

3,3-Dimethyl-1-(2-nitrophenoxy)-2-butanone

Description:

3,3-Dimethyl-1-(2-nitrophenoxy)-2-butanone, with the CAS number 32278-17-4, is an organic compound characterized by its ketone functional group and the presence of a nitrophenoxy substituent. This compound features a butanone backbone with two methyl groups attached to the third carbon, contributing to its branched structure. The nitrophenoxy group, derived from 2-nitrophenol, introduces both electron-withdrawing characteristics and potential reactivity due to the nitro group. This compound is typically a yellow to brown liquid, exhibiting moderate solubility in organic solvents and limited solubility in water. Its chemical properties may include reactivity towards nucleophiles due to the electrophilic nature of the carbonyl group. Additionally, the presence of the nitro group can influence its electronic properties, making it useful in various chemical applications, including as an intermediate in organic synthesis. Safety data should be consulted for handling, as compounds with nitro groups can pose health risks.

Formula: C₁₂H₁₅NO₄

InChI: InChI=1S/C12H15NO4/c1-12(2,3)11(14)8-17-10-7-5-4-6-9(10)13(15)16/h4-7H,8H2,1-3H3

InChI key: InChIKey=IYGWUAFDCYXSON-UHFFFAOYSA-N

SMILES: O(CC(C(C)(C)C)=O)C1=C(N(=O)=O)C=CC=C1

Synonyms:

• 2-Butanone, 3,3-dimethyl-1-(2-nitrophenoxy)-
• 3,3-Dimethyl-1-(2-nitrophenoxy)-2-butanone
• 2-Butanone, 3,3-dimethyl-2-(o-nitrophenoxy)-
• 2-Butanone, 3,3-dimethyl-2-(2-nitrophenoxy)-