N-Butylcinnamamide

Base Information

• Chemical Name: N-Butylcinnamamide
• CAS No.: 6299-56-5
• Molecular Formula: C13H17NO
• Molecular Weight: 203.284
• Hs Code.: 2924299090
• ChEMBL ID: CHEMBL2285676
• Nikkaji Number: J1.339.964F,J2.030.124D,J101.593A
• NSC Number: 44781
• Mol file: 6299-56-5.mol

Synonyms:N-Butylcinnamamide;N-Butyl-3-phenylpropenamide;Cinnamamide, N-butyl-;2-Propenamide, N-butyl-3-phenyl-;6299-56-5;NSC44781;(E)-N-butyl-3-phenylprop-2-enamide;N-Butyl-3-phenyl-acrylamide;CHEMBL2285676;SCHEMBL16690012;PFJWWVNCWHBPJL-MDZDMXLPSA-N;NSC-44781;AKOS003242290;(2E)-n-Butyl-3-phenyl-2-propenamide;(E)-N-butyl-3-phenyl-prop-2-enamide;(2E)-n-Butyl-3-phenyl-2-propenamide #

Chemical Property of N-Butylcinnamamide

Chemical Property:

• Vapor Pressure: 3.8E-06mmHg at 25°C
• Refractive Index: 1.5400 (estimate)
• Boiling Point: 385.5°Cat760mmHg
• Flash Point: 231.7°C
• PSA: 29.10000
• Density: 1.004g/cm³
• LogP: 3.00700
• Water Solubility.: 197.2mg/L(temperature not stated)
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 203.131014166
• Heavy Atom Count: 15
• Complexity: 205

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNC(=O)C=CC1=CC=CC=C1
• Isomeric SMILES: CCCCNC(=O)/C=C/C1=CC=CC=C1

Technology Process of N-Butylcinnamamide

There total 27 articles about N-Butylcinnamamide 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: 98.0%

Cinnamic acid (621-82-9) + N-butylamine (109-73-9,85404-21-3) → N-(β-phenylacroyl)butylamine (6299-56-5)

Guidance literature:

With silica gel; at 130 ℃; for 1.33333h; Microwave irradiation; Green chemistry;

DOI:10.1039/c5gc00189g

Reference yield: 93.0%

N-butylamine (109-73-9,85404-21-3) + methyl cinnamate (103-26-4,1754-62-7) → N-(β-phenylacroyl)butylamine (6299-56-5)

Guidance literature:

With aluminum (III) chloride; triethylamine; at 25 ℃; for 2h; chemoselective reaction;

DOI:10.1007/s11164-012-0517-x

Reference yield: 89.0%

N-butylamine (109-73-9,85404-21-3) + 1-(3-phenylpropenoyl)-1H-benzotriazole (26112-94-7) → N-(β-phenylacroyl)butylamine (6299-56-5)

Guidance literature:

With samarium (III) iodide; In dichloromethane; at 20 ℃; for 3.5h;

DOI:10.1080/00397910802431180

upstream raw materials:

Cinnamic acid

N-butylamine

cinnamoyl chloride

methyl cinnamate

Downstream raw materials:

N‐butyl‐3‐phenylpropanamide

PPC₄