CAS 168618-25-5: Methyl 3-(1H-pyrrol-1-yl)benzoate

Description: Methyl 3-(1H-pyrrol-1-yl)benzoate is an organic compound characterized by its ester functional group, which is derived from benzoic acid and methanol. The structure features a benzoate moiety with a pyrrole ring attached at the 3-position, contributing to its unique chemical properties. This compound is typically a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It is known for its potential applications in organic synthesis and as an intermediate in the production of pharmaceuticals and agrochemicals. The presence of the pyrrole ring may impart biological activity, making it of interest in medicinal chemistry. Methyl 3-(1H-pyrrol-1-yl)benzoate is soluble in organic solvents, and its reactivity can be influenced by the electron-donating and withdrawing effects of the substituents on the aromatic ring. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper precautions are taken.

Formula: C₁₂H₁₁NO₂

InChI: InChI=1S/C12H11NO2/c1-15-12(14)10-5-4-6-11(9-10)13-7-2-3-8-13/h2-9H,1H3

InChI key: InChIKey=AORPZPNEEGITMY-UHFFFAOYSA-N

SMILES: O=C(OC)C1=CC=CC(=C1)N2C=CC=C2

Synonyms:

• Benzoic acid, 3-(1H-pyrrol-1-yl)-, methyl ester
• Methyl 3-(1H-pyrrol-1-yl)benzoate
• 3-Pyrrol-1-yl-benzoic acid methyl ester

3-(Pyrrol-1-yl)benzoic acid methyl ester

CAS: 168618-25-5

• Purity: 95+%
• Molecular weight: 201.22g/mol

3-Pyrrol-1-yl-benzoic acid methyl ester

CAS: 168618-25-5

• Purity: 95.0%
• Molecular weight: 201.22500610351562

3-(Pyrrol-1-yl)benzoic acid methyl ester

CAS: 168618-25-5

Versatile small molecule scaffold

• Formula: C₁₂H₁₁NO₂
• Purity: Min. 95%
• Molecular weight: 201.22 g/mol