1H-pyrrole, 1-ethenyl-2-methyl-

Base Information

• Chemical Name: 1H-pyrrole, 1-ethenyl-2-methyl-
• CAS No.: 57807-64-4
• Molecular Formula: C7H9N
• Molecular Weight: 107.155
• DSSTox Substance ID: DTXSID00400824
• Nikkaji Number: J2.505.634E
• Wikidata: Q82203858
• Mol file: 57807-64-4.mol

Synonyms:1H-pyrrole, 1-ethenyl-2-methyl-;57807-64-4;2-methyl-1-vinyl-1H-pyrrole;1-ethenyl-2-methylpyrrole;N-vinyl-2-methylpyrrole;SCHEMBL6443245;DTXSID00400824;AKOS024356006;FT-0710373;InChI=1/C7H9N/c1-3-8-6-4-5-7(8)2/h3-6H,1H2,2H

Chemical Property of 1H-pyrrole, 1-ethenyl-2-methyl-

Chemical Property:

• XLogP3: 1.7
• 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:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=CN1C=C

Technology Process of 1H-pyrrole, 1-ethenyl-2-methyl-

There total 4 articles about 1H-pyrrole, 1-ethenyl-2-methyl- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 30.0%

1,2-dichloro-ethane (107-06-2,52399-93-6) + acetone oxime (127-06-0) → 2-methyl-1H-pyrrole (636-41-9) + 1-vinyl-2-methylpyrrole (57807-64-4) + 2,9-dimethyl-4,7-dioxa-3,8-diaza-2,8-decadiene (92670-19-4)

Guidance literature:

In dimethyl sulfoxide; at 112 - 125 ℃; for 3.5h; Product distribution; var. time, var. temperatures;

DOI:10.1007/BF00505898

Reference yield: 12.7%

acetylene (74-86-2,25067-58-7) + acetone oxime (127-06-0) → 2-methyl-1H-pyrrole (636-41-9) + 1-vinyl-2-methylpyrrole (57807-64-4) + acetone oxime O-vinyl ether (5883-10-3)

Guidance literature:

acetone oxime; With potassium hydroxide; In dimethyl sulfoxide; at 110 - 115 ℃; for 0.0833333h;

acetylene; In dimethyl sulfoxide; at 74 ℃; for 0.5h;

DOI:10.1055/s-2000-6330

Reference yield: 0.09%

propan-2-one oxime; potassium salt (54565-19-4) + acetylene (74-86-2,25067-58-7) → 2-methyl-1H-pyrrole (636-41-9) + 1-vinyl-2-methylpyrrole (57807-64-4) + 5,5'-dimethyl-2,2'-dipyrrylethane (73649-00-0)

Guidance literature:

In dimethyl sulfoxide; at 95 ℃; atmospheric pressure;

upstream raw materials:

1,2-dichloro-ethane

acetone oxime

propan-2-one oxime; potassium salt

acetylene