CAS 103790-47-2

1,1-Dimethylethyl 4-nitrobenzenepropanoate

Description:

1,1-Dimethylethyl 4-nitrobenzenepropanoate, with the CAS number 103790-47-2, is an organic compound characterized by its ester functional group. It features a propanoate moiety linked to a 4-nitrobenzene ring, which contributes to its chemical reactivity and potential applications in various fields, including pharmaceuticals and agrochemicals. The presence of the 1,1-dimethylethyl group, also known as a tert-butyl group, enhances the steric hindrance around the ester, potentially influencing its reactivity and solubility properties. This compound is likely to be a pale yellow to colorless liquid or solid, depending on its purity and specific conditions. Its nitro group can impart significant electronic effects, making it a candidate for further chemical transformations. As with many organic compounds, safety data should be consulted, as it may pose risks such as flammability or toxicity. Overall, 1,1-Dimethylethyl 4-nitrobenzenepropanoate exemplifies the complexity and diversity of organic chemistry, with potential utility in synthetic applications.

Formula: C₁₃H₁₇NO₄

InChI: InChI=1S/C13H17NO4/c1-13(2,3)18-12(15)9-6-10-4-7-11(8-5-10)14(16)17/h4-5,7-8H,6,9H2,1-3H3

InChI key: InChIKey=OIEYJDIVNUPPKM-UHFFFAOYSA-N

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

Synonyms:

• 1,1-Dimethylethyl 4-nitrobenzenepropanoate
• Benzenepropanoic acid, 4-nitro-, 1,1-dimethylethyl ester

tert-butyl 3-(4-nitrophenyl)propanoate

CAS: 103790-47-2

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Formula: C₁₃H₁₇NO₄

Purity: Min. 95%

Molecular weight: 251.28 g/mol

Ref: 3D-DEA79047