N-[2-[2-(Diethylamino)ethoxy]ethyl]-1-phenylcyclopentanecarboxamide

Base Information

• Chemical Name: N-[2-[2-(Diethylamino)ethoxy]ethyl]-1-phenylcyclopentanecarboxamide
• CAS No.: 136089-20-8
• Molecular Formula: C₂₀H₃₂N₂O₂
• Molecular Weight: 332.486
• ChEMBL ID: CHEMBL440686
• DSSTox Substance ID: DTXSID501162072
• Nikkaji Number: J449.377J
• Mol file: 136089-20-8.mol

Synonyms:CHEMBL440686;DTXSID501162072;BDBM50039185;136089-20-8;N-[2-[2-(Diethylamino)ethoxy]ethyl]-1-phenylcyclopentanecarboxamide;1-Phenyl-cyclopentanecarboxylic acid [2-(2-diethylamino-ethoxy)-ethyl]-amide

Chemical Property of N-[2-[2-(Diethylamino)ethoxy]ethyl]-1-phenylcyclopentanecarboxamide

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 332.246378268
• Heavy Atom Count: 24
• Complexity: 357

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCN(CC)CCOCCNC(=O)C1(CCCC1)C2=CC=CC=C2

Technology Process of N-[2-[2-(Diethylamino)ethoxy]ethyl]-1-phenylcyclopentanecarboxamide

There total 6 articles about N-[2-[2-(Diethylamino)ethoxy]ethyl]-1-phenylcyclopentanecarboxamide 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:

2-<2-(diethylamino)ethoxy>ethylamine (136089-19-5) + 1-phenylcyclopentanecarboxylic acid chloride (17380-62-0) → N-<2-<2-(diethylamino)ethoxy>ethyl>-1-phenyl-1-cyclopetanecarboxamide (136089-20-8)

Guidance literature:

With sodium hydrogencarbonate; pentane; In chloroform; water; for 1h; Yield given; Ambient temperature;

DOI:10.1021/jm00115a002

Reference yield:

[2-(2-Azido-ethoxy)-ethyl]-diethyl-amine (136089-18-4) → N-<2-<2-(diethylamino)ethoxy>ethyl>-1-phenyl-1-cyclopetanecarboxamide (136089-20-8)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / 10percent Pd/C / ethanol / 48 h / 2068.6 Torr / Ambient temperature

2: NaHCO₃, pentane / CHCl₃; H₂O / 1 h / Ambient temperature

With hydrogen; sodium hydrogencarbonate; pentane; palladium on activated charcoal; In ethanol; chloroform; water;

DOI:10.1021/jm00115a002

Reference yield:

2-[2-(diethylamino)ethoxy] ethanol (140-82-9) → N-<2-<2-(diethylamino)ethoxy>ethyl>-1-phenyl-1-cyclopetanecarboxamide (136089-20-8)

Guidance literature:

Multi-step reaction with 3 steps

1: zinc-azide-bispyridine complex, triphenylphosphine, diisopropyl azodicarboxylate / toluene / 2 h / Ambient temperature

2: H₂ / 10percent Pd/C / ethanol / 48 h / 2068.6 Torr / Ambient temperature

3: NaHCO₃, pentane / CHCl₃; H₂O / 1 h / Ambient temperature

With Zn(N₃)2/bis-pyridine complex; di-isopropyl azodicarboxylate; hydrogen; sodium hydrogencarbonate; triphenylphosphine; pentane; palladium on activated charcoal; In ethanol; chloroform; water; toluene;

DOI:10.1021/jm00115a002

upstream raw materials:

2-<2-(diethylamino)ethoxy>ethylamine

1-phenylcyclopentanecarboxylic acid chloride

1-phenyl-1-cyclopentanecarboxylic acid

2-<2-(diethylamino)ethoxy>ethyl chloride

Downstream raw materials:

N-<2-<2-(diethylamino)ethoxy>ethyl>-N-methyl-1-phenyl-1-cyclopentanemethylamine

N-<2-<2-(diethylamino)ethoxy>ethyl>-1-phenyl-1-cyclopentanemethylamine

Refernces