CAS 7515-22-2

Methyl 3-(3-nitrophenyl)-2-propynoate

Description:

Methyl 3-(3-nitrophenyl)-2-propynoate is an organic compound characterized by its unique structure, which includes a propynoate functional group and a nitrophenyl substituent. This compound typically appears as a yellow to orange crystalline solid and is known for its aromatic properties due to the presence of the nitrophenyl group. It is soluble in organic solvents such as ethanol and acetone but has limited solubility in water. The presence of the nitro group contributes to its electron-withdrawing characteristics, which can influence its reactivity and stability. Methyl 3-(3-nitrophenyl)-2-propynoate is often utilized in organic synthesis and may serve as an intermediate in the production of various pharmaceuticals and agrochemicals. Its reactivity can be attributed to the triple bond in the propynoate moiety, making it a potential candidate for further chemical transformations. Safety precautions should be observed when handling this compound, as nitro compounds can be hazardous.

Formula: C₁₀H₇NO₄

InChI: InChI=1S/C10H7NO4/c1-15-10(12)6-5-8-3-2-4-9(7-8)11(13)14/h2-4,7H,1H3

InChI key: InChIKey=NYTZNCKDIZOGTR-UHFFFAOYSA-N

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

Synonyms:

• Propiolic acid, (m-nitrophenyl)-, methyl ester
• Methyl 3-(3-nitrophenyl)propiolate
• Methyl 3-(3-nitrophenyl)-2-propynoate
• 2-Propynoic acid, 3-(3-nitrophenyl)-, methyl ester
• Methyl (3-nitrophenyl)propiolate