N-butyl-3-phenylpropanamide

Base Information

• Chemical Name: N-butyl-3-phenylpropanamide
• CAS No.: 10264-11-6
• Molecular Formula: C13H19NO
• Molecular Weight: 205.3
• DSSTox Substance ID: DTXSID60364291
• Nikkaji Number: J1.283.666J
• Wikidata: Q82148153
• Mol file: 10264-11-6.mol

Synonyms:N-butyl-3-phenylpropanamide;N-Butylbenzenepropionamide;10264-11-6;N-n-Butyl 3Phenylpropionamide;SCHEMBL1093862;Propanamide, 3-phenyl-N-butyl-;DTXSID60364291;AKOS003789782

Chemical Property of N-butyl-3-phenylpropanamide

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 205.146664230
• Heavy Atom Count: 15
• Complexity: 173

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCNC(=O)CCC1=CC=CC=C1

Technology Process of N-butyl-3-phenylpropanamide

There total 28 articles about N-butyl-3-phenylpropanamide 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: 100.0%

N-butylamine (109-73-9,85404-21-3) + 3-Phenylpropionic acid (501-52-0) → N‐butyl‐3‐phenylpropanamide (10264-11-6)

Guidance literature:

3-Phenylpropionic acid; With (chloro-phenylthio-methylene)dimethylammonium chloride; In dichloromethane; at 0 ℃; for 0.5h;

N-butylamine; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1016/S0040-4039(02)01763-X

Reference yield: 98.0%

phenethylmagnesium chloride (90878-19-6) + n-butyl isocyanide (111-36-4) → N‐butyl‐3‐phenylpropanamide (10264-11-6)

Guidance literature:

With copper(ll) bromide; In tetrahydrofuran; at 20 ℃; for 0.00294444h; Inert atmosphere; Flow reactor;

DOI:10.1002/anie.201807393

Reference yield: 97.0%

N-(β-phenylacroyl)butylamine (6299-56-5) → N‐butyl‐3‐phenylpropanamide (10264-11-6)

Guidance literature:

With hydrogen; In methanol; at 20 ℃; for 5h; chemoselective reaction;

DOI:10.1002/aoc.4767

upstream raw materials:

N-Butyl-N-methyl-3-phenyl-propionamide

2-nitro-benzenesulfenic acid butylamide

3-Phenyl-propionic acid 2-thioxo-2H-pyridin-1-yl ester

N-butylamine

Downstream raw materials:

C₉H₁₂⁽¹⁸⁾O

1,1-d2-3-phenylpropan-1-ol

3-Phenyl-1-propanol

ethyl dihydrocinnamate