CAS 59747-00-1

Ethyl 3-[(4-bromophenyl)amino]-2-cyano-2-propenoate

Description:

Ethyl 3-[(4-bromophenyl)amino]-2-cyano-2-propenoate, with the CAS number 59747-00-1, is an organic compound characterized by its unique functional groups and structural features. It contains an ethyl ester group, a cyano group, and an amino group attached to a propenoate backbone, which contributes to its reactivity and potential applications in organic synthesis. The presence of the 4-bromophenyl moiety enhances its electrophilic character, making it useful in various chemical reactions, including nucleophilic substitutions and coupling reactions. This compound is typically a solid or liquid at room temperature, depending on its purity and specific formulation. Its solubility in organic solvents like ethanol and dichloromethane allows for ease of handling in laboratory settings. Ethyl 3-[(4-bromophenyl)amino]-2-cyano-2-propenoate may exhibit biological activity, making it of interest in medicinal chemistry and drug development. However, safety precautions should be taken when handling this compound, as it may pose health risks due to its bromine content and potential reactivity.

Formula: C₁₂H₁₁BrN₂O₂

InChI: InChI=1S/C12H11BrN2O2/c1-2-17-12(16)9(7-14)8-15-11-5-3-10(13)4-6-11/h3-6,8,15H,2H2,1H3

InChI key: InChIKey=CERDTJDPHMXSTI-UHFFFAOYSA-N

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

Synonyms:

• Ethyl 3-[(4-bromophenyl)amino]-2-cyano-2-propenoate
• Acrylic acid, 3-p-bromoanilino-2-cyano-, ethyl ester
• 2-Propenoic acid, 3-[(4-bromophenyl)amino]-2-cyano-, ethyl ester

Ethyl 3-[(4-bromophenyl)amino]-2-cyanoprop-2-enoate

CAS: 59747-00-1

Versatile small molecule scaffold

Formula: C₁₂H₁₁BrN₂O₂

Purity: Min. 95%

Molecular weight: 295.13 g/mol

Ref: 3D-JCA74700