CAS 112811-70-8

Ethyl α-[(cyclopropylamino)methylene]-2,4,5-trifluoro-3-methoxy-β-oxobenzenepropanoate

Description:

Ethyl α-[(cyclopropylamino)methylene]-2,4,5-trifluoro-3-methoxy-β-oxobenzenepropanoate, with CAS number 112811-70-8, is a synthetic organic compound characterized by its complex structure, which includes a trifluoromethyl group, a methoxy group, and a cyclopropylamino moiety. This compound typically exhibits properties associated with both aromatic and aliphatic systems, contributing to its potential reactivity and biological activity. The presence of trifluoromethyl groups often enhances lipophilicity and metabolic stability, while the methoxy group can influence solubility and electronic properties. The cyclopropylamino group may impart unique steric and electronic characteristics, potentially affecting the compound's interaction with biological targets. Ethyl esters like this one are generally known for their moderate volatility and can participate in various chemical reactions, including hydrolysis and esterification. Due to its structural features, this compound may be of interest in medicinal chemistry and drug development, particularly in the design of pharmaceuticals targeting specific biological pathways. However, detailed studies would be necessary to fully elucidate its properties and potential applications.

Formula: C₁₆H₁₆F₃NO₄

InChI: InChI=1S/C16H16F3NO4/c1-3-24-16(22)10(7-20-8-4-5-8)14(21)9-6-11(17)13(19)15(23-2)12(9)18/h6-8,20H,3-5H2,1-2H3

InChI key: InChIKey=HVJXUGXNDLCTGC-UHFFFAOYSA-N

SMILES: C(C(=CNC1CC1)C(OCC)=O)(=O)C2=C(F)C(OC)=C(F)C(F)=C2

Synonyms:

• Ethyl 2-(2,4,5-trifluoro-3-methoxybenzoyl)-3-cyclopropylaminoacrylate
• Ethyl α-[(cyclopropylamino)methylene]-2,4,5-trifluoro-3-methoxy-β-oxobenzenepropanoate
• Benzenepropanoic acid, α-[(cyclopropylamino)methylene]-2,4,5-trifluoro-3-methoxy-β-oxo-, ethyl ester

Moxifloxacin Impurity 54

CAS: 112811-70-8

Formula: C₁₆H₁₆F₃NO₄

Molecular weight: 343.30

Ref: 4Z-M-2775

2-(2,4,5-Trifluoro-3-methoxybenzoyl)-3-cyclopropylaminoacrylic Acid Ethyl Ester

Controlled Product

CAS: 112811-70-8

Applications 2-(2,4,5-Trifluoro-3-methoxybenzoyl)-3-cyclopropylaminoacrylic Acid Ethyl Ester is used in the preparation Gatifloxacin (G250000) and key intermediates for the synthesis third-generation fluoroquinolone antibiotics.
References Glice, M.M. et al.: Prz. Chem., 86, 768 (2007): Zhou, W. et al.: Zhong. Yaox., 8, 751 (2010);

Formula: C₁₆H₁₆F₃NO₄

Color and Shape: Neat

Molecular weight: 343.298

Ref: TR-T790730

Gatifloxacin Impurity 7

CAS: 112811-70-8

Formula: C₁₆H₁₆F₃NO₄

Molecular weight: 343.3

Ref: ST-EA-CP-G6027