N-(2,6-Diethylphenyl)-2-(tetrahydro-1H-pyrrolizin-7a(5H)-yl)acetamide

Base Information

• Chemical Name: N-(2,6-Diethylphenyl)-2-(tetrahydro-1H-pyrrolizin-7a(5H)-yl)acetamide
• CAS No.: 88069-54-9
• Molecular Formula: C₁₉H₂₈N₂O
• Molecular Weight: 300.444
• ChEMBL ID: CHEMBL162492
• DSSTox Substance ID: DTXSID30529052
• Wikidata: Q82399171
• Mol file: 88069-54-9.mol

Synonyms:88069-54-9;CHEMBL162492;DTXSID30529052;N-(2,6-Diethylphenyl)-2-(tetrahydro-1H-pyrrolizin-7a(5H)-yl)acetamide

Chemical Property of N-(2,6-Diethylphenyl)-2-(tetrahydro-1H-pyrrolizin-7a(5H)-yl)acetamide

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 300.220163521
• Heavy Atom Count: 22
• Complexity: 373

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C(=CC=C1)CC)NC(=O)CC23CCCN2CCC3

Technology Process of N-(2,6-Diethylphenyl)-2-(tetrahydro-1H-pyrrolizin-7a(5H)-yl)acetamide

There total 2 articles about N-(2,6-Diethylphenyl)-2-(tetrahydro-1H-pyrrolizin-7a(5H)-yl)acetamide 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-azoniabicyclo[3.3.0]oct-1(5)-ene perchlorate → N-(2,6-Diethyl-phenyl)-2-(tetrahydro-pyrrolizin-7a-yl)-acetamide (88069-54-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 5.01 g / ethanol / 8 h / Heating

2: 1.) NaH / 1.) 1,4-dioxane, 100 deg C, 2 h, 2.) 1,4-dioxane, 100 deg C, 2 h

With sodium hydride; In ethanol;

DOI:10.1021/jm00383a005

Reference yield:

2,6-diethylaniline (579-66-8) + ethyl tetrahydro-1H-pyrrolizin-7a(5H)-ylacetate (88069-56-1) → N-(2,6-Diethyl-phenyl)-2-(tetrahydro-pyrrolizin-7a-yl)-acetamide (88069-54-9)

Guidance literature:

With sodium hydride; Multistep reaction; 1.) 1,4-dioxane, 100 deg C, 2 h, 2.) 1,4-dioxane, 100 deg C, 2 h;

DOI:10.1021/jm00383a005

upstream raw materials:

2,6-diethylaniline

ethyl tetrahydro-1H-pyrrolizin-7a(5H)-ylacetate