CAS 512810-11-6

3-[3-[(4-Bromophenoxy)methyl]-4-methoxyphenyl]-2-propenoic acid

Description:

3-[3-[(4-Bromophenoxy)methyl]-4-methoxyphenyl]-2-propenoic acid, with the CAS number 512810-11-6, is an organic compound characterized by its complex structure, which includes a propenoic acid moiety and multiple aromatic rings. This compound features a bromophenyl group, which contributes to its potential biological activity, and a methoxy group that can influence its solubility and reactivity. The presence of the propenoic acid functional group suggests that it may participate in various chemical reactions, such as polymerization or esterification. Additionally, the compound's structure indicates potential applications in pharmaceuticals or agrochemicals, particularly due to the bromine substituent, which can enhance biological activity or alter pharmacokinetics. Its solubility, stability, and reactivity would depend on the specific conditions, such as pH and solvent, making it a subject of interest for further research in medicinal chemistry and material science. Overall, this compound exemplifies the intricate relationship between molecular structure and chemical properties.

Formula: C₁₇H₁₅BrO₄

InChI: InChI=1S/C17H15BrO4/c1-21-16-8-2-12(3-9-17(19)20)10-13(16)11-22-15-6-4-14(18)5-7-15/h2-10H,11H2,1H3,(H,19,20)

InChI key: InChIKey=WBZITOJZVUHBAP-UHFFFAOYSA-N

SMILES: C(OC1=CC=C(Br)C=C1)C2=C(OC)C=CC(C=CC(O)=O)=C2

Synonyms:

• 2-Propenoic acid, 3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-
• 3-[3-[(4-Bromophenoxy)methyl]-4-methoxyphenyl]-2-propenoic acid
• (2E)-3-{3-[(4-Bromophenoxy)methyl]-4-methoxyphenyl}acrylic acid

3-{3-[(4-Bromophenoxy)methyl]-4-methoxyphenyl}prop-2-enoic acid

CAS: 512810-11-6

Versatile small molecule scaffold

Formula: C₁₇H₁₅BrO₄

Purity: Min. 95%

Molecular weight: 363.2 g/mol

Ref: 3D-MVA81011