1-Benzylpyrrole

CAS: 2051-97-0

Ref. 3D-FB62803

Product Information

• Name: 1-Benzylpyrrole
• Synonyms: 1-(Phenylmethyl)-1H-pyrrole, 1-benzyl-1H-pyrrole, 1H-Pyrrole, 1-(phenylmethyl)-, N-Benzylpyrrole, NSC 116806, NSC 4024, Pyrrole, 1-benzyl-

Description

1-Benzylpyrrole is a pyrrole with the molecular formula C8H6N2O. It is synthesised from 1-benzylthiourea and dimethyl acetylenedicarboxylate, which react to form a cyclic amine. The reaction was performed in the presence of acetic anhydride and triethylamine in diethyl ether at room temperature. The product was purified by column chromatography on silica gel with chloroform as eluent. UV absorption spectra were recorded on a Shimadzu UV-2450 PC spectrophotometer. An acidic proton was observed at the H-1 position, while a chloride ion was observed at H-3. Nucleophiles were observed at H-2 and H-4. Molecular modelling of this compound revealed that it has two butanoic acid chains connected to an indibulin ring system, which is why it has been found to

• Brand: Biosynth

Chemical properties

• Molecular weight: 157.21 g/mol
• Formula: C₁₁H₁₁N
• Purity: Min. 95%
• InChI: InChI=1S/C11H11N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-9H,10H2
• InChI key: InChIKey=FNEQHKCQXDKYEO-UHFFFAOYSA-N
• SMILES: c1ccc(Cn2cccc2)cc1