2,2-Dimethyl-4-(4-penten-1-yl)-3,5-diphenyl-2H-pyrrole

Base Information

• Chemical Name: 2,2-Dimethyl-4-(4-penten-1-yl)-3,5-diphenyl-2H-pyrrole
• CAS No.: 110775-39-8
• Molecular Formula: C₂₃H₂₅N
• Molecular Weight: 315.458
• DSSTox Substance ID: DTXSID201208443
• Mol file: 110775-39-8.mol

Synonyms:2,2-Dimethyl-4-(4-penten-1-yl)-3,5-diphenyl-2H-pyrrole;DTXSID201208443;110775-39-8

Chemical Property of 2,2-Dimethyl-4-(4-penten-1-yl)-3,5-diphenyl-2H-pyrrole

Chemical Property:

• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 315.198699802
• Heavy Atom Count: 24
• Complexity: 496

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(C(=C(C(=N1)C2=CC=CC=C2)CCCC=C)C3=CC=CC=C3)C

Technology Process of 2,2-Dimethyl-4-(4-penten-1-yl)-3,5-diphenyl-2H-pyrrole

There total 1 articles about 2,2-Dimethyl-4-(4-penten-1-yl)-3,5-diphenyl-2H-pyrrole 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:

1-phenylhept-6-en-1-one (15177-05-6) + 2,2-dimethyl-3-phenyl-2H-azirine (14491-02-2) → 2,2-dimethyl-4-pent-4-enyl-3,5-diphenyl-2H-pyrrole (110775-39-8)

Guidance literature:

With sodium hydride; Yield given. Multistep reaction; 1.) DMSO, 20 deg C, 3 h, 2.) DMSO, from 20 deg C to 35 deg C, 118 h;

DOI:10.1021/jo00234a009

Reference yield: 13.0%

2,2-dimethyl-4-pent-4-enyl-3,5-diphenyl-2H-pyrrole (110775-39-8) → 10,10-dimethyl-7,9-diphenyl-8-azatricyclo<5.2.1.01,5>dec-8-ene (110849-70-2,105555-61-1) + 1,9-dimethyl-2,7-diphenyl-8-azatricyclo<4.3.1.02,7>dec-8-ene (110775-53-6) + 1,10-dimethyl-2,8-diphenyl-9-azatricyclo<4.4.0.02,8>dec-9-ene (110775-52-5)

Guidance literature:

In benzene; at 210 ℃; for 140h;

DOI:10.1021/jo00234a009

upstream raw materials:

1-phenylhept-6-en-1-one

2,2-dimethyl-3-phenyl-2H-azirine

Downstream raw materials:

10,10-dimethyl-7,9-diphenyl-8-azatricyclo<5.2.1.0^1,5>dec-8-ene

1,9-dimethyl-2,7-diphenyl-8-azatricyclo<4.3.1.0^2,7>dec-8-ene

1,10-dimethyl-2,8-diphenyl-9-azatricyclo<4.4.0.0^2,8>dec-9-ene

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