1-Acetyl-N-benzylcyclopropanecarboxamide

Base Information

• Chemical Name: 1-Acetyl-N-benzylcyclopropanecarboxamide
• CAS No.: 147011-39-0
• Molecular Formula: C13H15NO2
• Molecular Weight: 217.268
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID50464390
• Nikkaji Number: J1.631.242H
• Wikidata: Q82289684
• Mol file: 147011-39-0.mol

Synonyms:147011-39-0;1-Acetyl-N-benzylcyclopropanecarboxamide;1-ACETYL-N-BENZYLCYCLOPROPANE-1-CARBOXAMIDE;Cyclopropanecarboxamide, 1-acetyl-N-(phenylmethyl)-;SCHEMBL9551686;DTXSID50464390;XFA01139;AKOS022173492;AS-68922;CS-0045679;FT-0696368;D72070

Chemical Property of 1-Acetyl-N-benzylcyclopropanecarboxamide

Chemical Property:

• Boiling Point: 434.9±34.0 °C(Predicted)
• PKA: 14.44±0.20(Predicted)
• PSA: 49.66000
• Density: 1.182±0.06 g/cm3(Predicted)
• LogP: 2.51230
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 217.110278721
• Heavy Atom Count: 16
• Complexity: 288

Purity/Quality:

99% ^*data from raw suppliers

1-Acetyl-N-benzylcyclopropanecarboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1(CC1)C(=O)NCC2=CC=CC=C2

Technology Process of 1-Acetyl-N-benzylcyclopropanecarboxamide

There total 2 articles about 1-Acetyl-N-benzylcyclopropanecarboxamide 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: 92.0%

N-benzyl-3-oxobutanamide (882-36-0) + ethylene dibromide (106-93-4) → 1-acetyl-N-[benzyl]cyclopropane-1-carboxamide (147011-39-0)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 12h;

DOI:10.1002/ardp.200700060

Reference yield: 84.0%

N-benzyl-3-oxobutanamide (882-36-0) + 1,2-dichloro-ethane (107-06-2,52399-93-6) → 1-acetyl-N-[benzyl]cyclopropane-1-carboxamide (147011-39-0)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 - 35 ℃; for 24h; Large scale;

Reference yield: 98.4%

1-acetyl-N-[benzyl]cyclopropane-1-carboxamide (147011-39-0) → N-benzyl-1-(2-bromoacetyl)cyclopropanecarboxamide (331443-52-8)

Guidance literature:

With N-Bromosuccinimide; chloro-trimethyl-silane; In acetonitrile; at 0 ℃; for 5h; Large scale;

upstream raw materials:

N-benzyl-3-oxobutanamide

ethylene dibromide

1,2-dichloro-ethane

Downstream raw materials:

(E)-N-benzyl-1-(1-hydroxy-3-phenylallyl)cyclopropanecarboxamide

1-(1,1-ethylenedioxyethyl)-1-benzylamidecyclopropane

N-benzyl-1-cinnamoylcyclopropanecarboxamide

5-(benzylamino)-4-(2-methoxyethyl)furan-3(2H)-one