1-Methyl-2-vinyl-1H-pyrrole

Base Information

• Chemical Name: 1-Methyl-2-vinyl-1H-pyrrole
• CAS No.: 2540-06-9
• Molecular Formula: C7H9N
• Molecular Weight: 107.155
• DSSTox Substance ID: DTXSID70492655
• Nikkaji Number: J708.466H
• Wikidata: Q82338752
• Mol file: 2540-06-9.mol

Synonyms:1-Methyl-2-vinyl-1H-pyrrole;2540-06-9;n-methyl-2-vinylpyrrole;2-Ethenyl-1-methyl-1H-pyrrole;1-methyl-2-vinylpyrrole;2-ethenyl-1-methylpyrrole;SCHEMBL677899;DTXSID70492655;GHGVPCNHGZIJRN-UHFFFAOYSA-N;EN300-364322

Chemical Property of 1-Methyl-2-vinyl-1H-pyrrole

Chemical Property:

• PSA: 4.93000
• LogP: 1.66810
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 107.073499291
• Heavy Atom Count: 8
• Complexity: 88.4

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1C=CC=C1C=C

Refernces

Facile and Efficient Carboalkoxylation and Carboaryloxylation of Amines

10.1021/jo01310a057

The research explores the synthesis and reactions of various organic compounds. It includes the preparation of indole derivatives using compounds like 1-methyl-2-vinylpyrrole, methyl propiolate, and hydroquinone, resulting in products such as dimethyl indole-6,7-dicarboxylate and methyl 1-tert-butylindole-7-carboxylate, characterized by melting points, IR spectra, NMR spectra, and elemental analysis. Additionally, the study introduces alkyl and aryl α-methoxyvinyl carbonates (3a-c) as efficient reagents for carboalkoxylation and carboaryloxylation of amines, including weakly basic ones, under mild conditions, yielding high-quality N-carboalkoxylated and N-carboaryloxylated compounds. The research also examines the reactions of [3-(dimethylamino)-2-azaprop-2-en-1-ylidene]dimethylammonium chloride with hydrazines and amidines, producing 1,2,4-triazoles and substituted products, with detailed spectral data confirming the structures of the synthesized compounds.