CAS 39562-17-9

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

Description:

Methyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate, identified by its CAS number 39562-17-9, is an organic compound characterized by its ester functional group and a complex structure that includes a nitrophenyl moiety. This compound typically exhibits a yellow to orange color due to the presence of the nitro group, which can also influence its reactivity and solubility. It is generally soluble in organic solvents such as ethanol and acetone, while its solubility in water is limited. The presence of the methylene bridge and the carbonyl group contributes to its potential reactivity, making it a candidate for various chemical reactions, including condensation and nucleophilic addition. Methyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate may also exhibit biological activity, which could be of interest in medicinal chemistry. As with many organic compounds, proper handling and safety precautions are essential due to potential toxicity associated with the nitro group.

Formula: C₁₂H₁₁NO₅

InChI: InChI=1/C12H11NO5/c1-8(14)11(12(15)18-2)7-9-4-3-5-10(6-9)13(16)17/h3-7H,1-2H3/b11-7+

InChI key: InChIKey=LYUBYLJQOZIBQB-UHFFFAOYSA-N

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

Synonyms:

• (3-Nitrobenzylidene)acetoacetic acid methyl ester
• 2-(3-Nitrobenzylidene)acetoacetic acid methyl ester
• Butanoic Acid, 2-[(3-Nitrophenyl)Methylene]-3-Oxo-, Methyl Ester
• Methyl 2-(3-nitrobenzylidene)-3-oxo-butylate
• Methyl 2-(3-nitrobenzylidene)-3-oxobutanoate
• Methyl 2-(m-nitrobenzylidene)acetoacetate
• Methyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate
• Methyl 3-nitrobenzylideneacetoacetate
• Methyl α-acetyl-β-(m-nitrophenyl)acrylate
• methyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate
• Methyl 2-(3-nitrobenzylidene)acetoacetate
• 2-(m-Nitrobenzylidene)acetoacetic acid methyl ester
• 2-[(3-Nitrophenyl)methylene]-3-oxo-butanoic acid methyl ester
• ETHYL 3-NITROBENZYLIDENACETOACETATE
• SALOR-INT L133515-1EA

Methyl 3-nitrobenzylideneacetoacetate

CAS: 39562-17-9

Formula: C₁₂H₁₁NO₅

Purity: 98%

Color and Shape: Solid

Molecular weight: 249.2194

Ref: IN-DA00BXW8

Methyl (3-nitrobenzylidene)acetoacetate

CAS: 39562-17-9

Methyl (3-nitrobenzylidene)acetoacetate

Purity: 98%

Molecular weight: 249.21944g/mol

Ref: 54-OR13700

Methyl 2-(3-Nitrobenzylidene)-3-oxobutanoate (1:1 E/Z Mixture)

Controlled Product

CAS: 39562-17-9

Applications Methyl 2-(3-Nitrobenzylidene)-3-oxobutanoate is a useful reactant in organic synthesis.
References Miao, Chun-Bao, et al.: Heterocycles, 87(4), 853-859 (2013);Kang, Soosung, et al.: Bioorg. & Med. Chem., 21(14), 4365-4373 (2013);Li, Wan, et al.: Archiv der Pharmazie (Weinheim, Germany), 346(9), 635-644 (2013)

Formula: C₁₂H₁₁NO₅

Color and Shape: Neat

Molecular weight: 249.22

Ref: TR-M303125

Methyl 2-(3-nitrobenzylidene)-3-oxobutanoate

CAS: 39562-17-9

Formula: C₁₂H₁₁NO₅

Molecular weight: 249.22

Ref: ST-EA-CP-A226013