Caffeoylhexylamide

Base Information

• Chemical Name: Caffeoylhexylamide
• CAS No.: 100668-11-9
• Molecular Formula: C₁₅H₂₁NO₃
• Molecular Weight: 263.337
• ChEMBL ID: CHEMBL1215096
• DSSTox Substance ID: DTXSID501030055
• Nikkaji Number: J1.550.326B,J415.782F
• Mol file: 100668-11-9.mol

Synonyms:caffeic acid hexylamide;CAFFEOYLHEXYLAMIDE;100668-11-9;CHEMBL1215096;SCHEMBL16382873;FHMOUGPYKHQZIE-VQHVLOKHSA-N;DTXSID501030055;(2E)-3-(3,4-Dihydroxyphenyl)-N-hexylacrylamide

Chemical Property of Caffeoylhexylamide

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 263.15214353
• Heavy Atom Count: 19
• Complexity: 291

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Caffeoylhexylamide

There total 2 articles about Caffeoylhexylamide 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: 82.4%

hexan-1-amine (111-26-2) + caffeic acid (331-39-5,501-16-6) → N-hexyl-3-(3,4-dihydroxyphenyl)-2-propenamide (100668-11-9)

Guidance literature:

With Candida antarctica lipase; at 60 - 90 ℃; Enzymatic reaction;

DOI:10.1080/00397911.2014.974611

Reference yield:

caffeic acid (331-39-5,501-16-6) → N-hexyl-3-(3,4-dihydroxyphenyl)-2-propenamide (100668-11-9)

Guidance literature:

With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; triethylamine; In dichloromethane; N,N-dimethyl-formamide; at 0 - 20 ℃; for 0.5h;

DOI:10.1016/j.bmc.2016.05.065

upstream raw materials:

hexan-1-amine

caffeic acid