4-Ethyl-2,4-hexadienecarboxamide

Base Information

• Chemical Name: 4-Ethyl-2,4-hexadienecarboxamide
• CAS No.: 92454-24-5
• Molecular Formula: C₈H₁₃NO
• Molecular Weight: 139.197
• Nikkaji Number: J2.362.728K,J246.201J
• Metabolomics Workbench ID: 107887
• Mol file: 92454-24-5.mol

Synonyms:4-ethyl-2,4-hexadienecarboxamide;FR 900411;FR-900411

Chemical Property of 4-Ethyl-2,4-hexadienecarboxamide

Chemical Property:

• Vapor Pressure: 0.00227mmHg at 25°C
• Boiling Point: 288.9°Cat760mmHg
• Flash Point: 128.5°C
• PSA: 44.08000
• Density: 0.937g/cm³
• LogP: 2.53390
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 139.099714038
• Heavy Atom Count: 10
• Complexity: 168

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=CC)C=CC(=O)N
• Isomeric SMILES: CC/C(=C\C)/C=C/C(=O)N

Technology Process of 4-Ethyl-2,4-hexadienecarboxamide

There total 6 articles about 4-Ethyl-2,4-hexadienecarboxamide 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: 74.7%

5%-hydrochloric acid + 5%-sodium chloride + 7%-sodium hydroxide + (E,E)-4-ethyl-2,4-hexadienoic acid (92454-23-4) + isopropyl chloroformate (108-23-6) → (E,E)-4-ethyl-2,4-hexadienamide (92454-24-5)

Guidance literature:

With ammonia; triethylamine; In dichloromethane; ethyl acetate;

Reference yield:

(E,E)-4-ethyl-2,4-hexadienoic acid (92454-23-4) + chloroformic acid ethyl ester (541-41-3) → (E,E)-4-ethyl-2,4-hexadienamide (92454-24-5)

Guidance literature:

With triethylamine; In tetrahydrofuran;

Reference yield:

C12H18O4 → (E,E)-4-ethyl-2,4-hexadienamide (92454-24-5)

Guidance literature:

With ammonia; at -20 ℃; Yield given;

DOI:10.1248/cpb.37.2864

upstream raw materials:

(E)-2-ethyl-2-butenal

diethyl carbamoylmethylphosphonate

ethyl (E,E)-4-ethylhexa-2,4-dienoate

(E,E)-4-ethyl-2,4-hexadienoic acid

Downstream raw materials:

(E)-4-ethyl-2-[E-hydroxyimino]-5-nitro-3-hexenamide

FK409