Cyclohepta[b]pyrrol-2(1H)-one, 1,3,6-trimethyl-

Base Information

• Chemical Name: Cyclohepta[b]pyrrol-2(1H)-one, 1,3,6-trimethyl-
• CAS No.: 104422-26-6
• Molecular Formula: C12H13NO
• Molecular Weight: 187.241
• DSSTox Substance ID: DTXSID50449208
• Mol file: 104422-26-6.mol

Synonyms:104422-26-6;1,3,6-trimethylcyclohepta[b]pyrrol-2(1H)-one;Cyclohepta[b]pyrrol-2(1H)-one, 1,3,6-trimethyl-;DTXSID50449208

Chemical Property of Cyclohepta[b]pyrrol-2(1H)-one, 1,3,6-trimethyl-

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 187.099714038
• Heavy Atom Count: 14
• Complexity: 422

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C2C(=C(C(=O)N2C)C)C=C1

Technology Process of Cyclohepta[b]pyrrol-2(1H)-one, 1,3,6-trimethyl-

There total 1 articles about Cyclohepta[b]pyrrol-2(1H)-one, 1,3,6-trimethyl- 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: 76.0%

diethyl diazomethylphosphonate (25411-73-8) + N-Methyl-2-oxo-N-p-tolyl-propionamide (61110-53-0) → 1,5-dihydro-3-methyl-1-(4-methylphenyl)-2(5H)-pyrrolone (104422-27-7) + N-methyl-N-(4-methylphenyl)-2-butynamide (104422-28-8) + 1,3,6-trimethylcycloheptapyrrol-2(1H)-one (104422-26-6)

Guidance literature:

With potassium tert-butylate; In acetonitrile; at 0 ℃; for 0.0333333h;

DOI:10.1021/jo00371a040

upstream raw materials:

diethyl diazomethylphosphonate

N-Methyl-2-oxo-N-p-tolyl-propionamide