N,N-dibutyl-3-phenylpropanamide

Base Information

• Chemical Name: N,N-dibutyl-3-phenylpropanamide
• CAS No.: 57772-72-2
• Molecular Formula: C17H27NO
• Molecular Weight: 261.407
• DSSTox Substance ID: DTXSID70404258
• Nikkaji Number: J3.315.133K
• Wikidata: Q82208351
• Mol file: 57772-72-2.mol

Synonyms:N,N-dibutyl-3-phenylpropanamide;57772-72-2;N,N-dibutyl-3-phenyl-propionamide;DTXSID70404258;AKOS003856256;AO-854/11154057

Chemical Property of N,N-dibutyl-3-phenylpropanamide

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 261.209264485
• Heavy Atom Count: 19
• Complexity: 225

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN(CCCC)C(=O)CCC1=CC=CC=C1

Technology Process of N,N-dibutyl-3-phenylpropanamide

There total 4 articles about N,N-dibutyl-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: 80.0%

dibutylamine (111-92-2) + hydrocinnamic acid chloride (645-45-4) → N,N-dibutyl-3-phenylpropionamide (57772-72-2)

Guidance literature:

With triethylamine;

DOI:10.1021/je00038a033

Reference yield: 55.0%

N,N-di-n-butylacrylamide (2274-13-7) + phenylboronic acid (98-80-6) → N,N-dibutyl-3-phenylpropionamide (57772-72-2)

Guidance literature:

With bis(triphenylphosphine)nickel(II) chloride; N,N'-(ethane-1,2-diyl)bis(1-(4-fluorophenyl)methanimine); iron; potassium iodide; In N,N-dimethyl acetamide; toluene; at 90 ℃; for 120h; Schlenk technique; Sealed tube; Inert atmosphere;

DOI:10.1016/j.tetlet.2014.02.046

Reference yield:

dibutylamine (111-92-2) + dicyclohexylammonium 3-phenylpropionate (101617-14-5) → N,N-dibutyl-3-phenylpropionamide (57772-72-2)

Guidance literature:

With pyridine; thionyl chloride; 1,8-diazabicyclo[5.4.0]undec-7-ene; Yield given. Multistep reaction; 1.) CH₂Cl₂, room temperature, 1 min, 2.) CH₂Cl₂, room temperature, 20 min;

DOI:10.1016/S0040-4020(01)91381-X

upstream raw materials:

dibutylamine

dicyclohexylammonium 3-phenylpropionate

hydrocinnamic acid chloride

N,N-di-n-butylacrylamide

Downstream raw materials:

N-butyl-N-(3-phenylpropyl)butan-1-amine