1H-Pyrrole, 1-ethenyl-3-ethyl-2-phenyl-

Base Information

• Chemical Name: 1H-Pyrrole, 1-ethenyl-3-ethyl-2-phenyl-
• CAS No.: 58042-94-7
• Molecular Formula: C14H15N
• Molecular Weight: 197.28
• DSSTox Substance ID: DTXSID50482291
• Nikkaji Number: J1.644.980F
• Wikidata: Q82318463

Synonyms:1H-Pyrrole, 1-ethenyl-3-ethyl-2-phenyl-;58042-94-7;DTXSID50482291

Chemical Property of 1H-Pyrrole, 1-ethenyl-3-ethyl-2-phenyl-

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 197.120449483
• Heavy Atom Count: 15
• Complexity: 205

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(N(C=C1)C=C)C2=CC=CC=C2

Technology Process of 1H-Pyrrole, 1-ethenyl-3-ethyl-2-phenyl-

There total 2 articles about 1H-Pyrrole, 1-ethenyl-3-ethyl-2-phenyl- 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: 40.0%

isopropyl phenyl ketoxime (72846-70-9,72846-71-0,6668-39-9) + acetylene (74-86-2,25067-58-7) → 3-ethyl-2-phenyl-pyrrole (63045-63-6) + 3-ethyl-2-phenyl-1-vinylpyrrole (58042-94-7) + 3,3-dimethyl-2-phenyl-3H-pyrrole (103660-70-4) + 2-methyl-1-phenyl-1-propanone O-vinyloxime (142266-94-2)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; at 90 - 100 ℃; under 7600 - 9120 Torr; other isopropyl ketoximes;

DOI:10.1007/BF00958870

Reference yield: 36.0%

n-butyrophenone oxime (112342-79-7,112342-81-1,1956-46-3) + acetylene (74-86-2,25067-58-7) → 3-ethyl-2-phenyl-pyrrole (63045-63-6) + 3-ethyl-2-phenyl-1-vinylpyrrole (58042-94-7)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; at 50 - 60 ℃; for 3h; under 9120 - 10640 Torr; Yields of byproduct given;

DOI:10.1007/BF00515220

Reference yield: 86.0%

3-ethyl-2-phenyl-1-vinylpyrrole (58042-94-7) + trifluoroacetic anhydride (407-25-0) → 1-(4-Ethyl-5-phenyl-1-vinyl-1H-pyrrol-2-yl)-2,2,2-trifluoro-ethanone (122276-00-0)

Guidance literature:

With pyridine; In diethyl ether; at 20 ℃; for 3h;

DOI:10.1007/BF00472615

upstream raw materials:

n-butyrophenone oxime

acetylene

isopropyl phenyl ketoxime

Downstream raw materials:

1-(4-Ethyl-5-phenyl-1-vinyl-1H-pyrrol-2-yl)-2,2,2-trifluoro-ethanone

3-ethyl-2-phenyl-pyrrole

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