CAS 39562-16-8

Ethyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate

Description:

Ethyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate, with the CAS number 39562-16-8, is an organic compound characterized by its complex structure, which includes an ethyl ester functional group, a ketone, and a nitrophenyl moiety. This compound typically appears as a yellow to orange solid or liquid, depending on its purity and specific conditions. It is known for its potential applications in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals, due to the presence of the nitrophenyl group, which can participate in various chemical reactions. The compound is likely to exhibit moderate solubility in organic solvents, while its solubility in water may be limited due to the hydrophobic ethyl group. Additionally, it may display interesting reactivity patterns, such as undergoing nucleophilic addition or condensation reactions, making it a valuable intermediate in synthetic chemistry. Safety precautions should be taken when handling this compound, as it may pose health risks typical of nitro-substituted aromatic compounds.

Formula: C₁₃H₁₃NO₅

InChI: InChI=1S/C13H13NO5/c1-3-19-13(16)12(9(2)15)8-10-5-4-6-11(7-10)14(17)18/h4-8H,3H2,1-2H3

InChI key: InChIKey=YOPMSDPIOQUWFE-UHFFFAOYSA-N

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

Synonyms:

• Butanoic Acid, 2-[(3-Nitrophenyl)Methylene]-3-Oxo-, Ethyl Ester
• Cinnamic acid, α-acetyl-m-nitro-, ethyl ester
• Ethyl 2-(3-nitrobenzylidene)-3-oxobutanoate
• Ethyl 2-(m-nitrobenzylidene)acetoacetate
• Ethyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate
• Ethyl 3-nitrobenzylideneacetoacetate
• Ethyl α-acetyl-β-(m-nitrophenyl)acrylate
• NSC 637307
• Ethyl 2-(3-nitrobenzylidene)acetoacetate

ethyl 2-(3-nitrobenzylidene)-3-oxobutanoate

CAS: 39562-16-8

Formula: C₁₃H₁₅NO₅

Purity: 97%

Color and Shape: Solid

Molecular weight: 265.2619

Ref: IN-DA0078K7

Nitrendipine Impurity 2

CAS: 39562-16-8

Formula: C₁₃H₁₃NO₅

Molecular weight: 263.25

Ref: 4Z-N-060011

Ethyl 3-Nitrobenzylideneacetoacetate

Controlled Product

CAS: 39562-16-8

Applications Ethyl 3-Nitrobenzylideneacetoacetate is an intermediate in synthesizing 5-Ethyl-demethyl Lercanidipine (E913200), which is an impurity of Lercanidipine (L179000), a dihydropyridine calcium channel blocker.
References Bianchi, G., et al.: Pharmacol. Res., 21, 193 (1989); Rimoldi, E., et al.: Acta Therap., 200, 23 (1994); Argekar, A., et al.: J. Pharm. Biomed. Anal., 21, 1137 (2000);

Formula: C₁₃H₁₃NO₅

Color and Shape: Neat

Molecular weight: 263.25

Ref: TR-E926050

Ethyl 3-Nitrobenzylideneacetoacetate

CAS: 39562-16-8

Formula: C₁₃H₁₃NO₅

Molecular weight: 263.25

Ref: ST-EA-CP-L36010

Nitrendipine Impurity 2

CAS: 39562-16-8

Formula: C₁₃H₁₃NO₅

Molecular weight: 263.25

Ref: ST-EA-CP-N42013