4-Oxo-9,11,13-octadecatrienoic acid

Base Information

• Chemical Name: 4-Oxo-9,11,13-octadecatrienoic acid
• CAS No.: 690374-06-2
• Molecular Formula: C₁₈H₂₈O₃
• Molecular Weight: 292.419
• European Community (EC) Number: 210-824-4
• UNII: 88V87V9QP9
• Nikkaji Number: J15.778C,J11.523A
• Metabolomics Workbench ID: 76174
• Mol file: 690374-06-2.mol

Synonyms:Couepic acid;Licanic acid;beta-Licanic acid;88V87V9QP9;4-Oxo-9,11,13-octadecatrienoic acid;9,11,13-Octadecatrienoic acid, 4-oxo-;UNII-88V87V9QP9;EINECS 210-824-4;(9E,11E,13E)-4-Oxo-9,11,13-octadecatrienoic acid;(9E,11E,13E)-4-oxooctadeca-9,11,13-trienoic acid;9,11,13-Octadecatrienoic acid, 4-oxo-, (9E,11E,13E)-;4-oxo-9E,11E,13E-octadecatrienoic acid;17699-20-6;623-99-4;690374-06-2;SCHEMBL118700;LMFA02000297;4-keto-9,11,13-octadecatrienoic acid

Chemical Property of 4-Oxo-9,11,13-octadecatrienoic acid

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 13
• Exact Mass: 292.20384475
• Heavy Atom Count: 21
• Complexity: 365

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC=CC=CC=CCCCCC(=O)CCC(=O)O
• Isomeric SMILES: CCCC/C=C/C=C/C=C/CCCCC(=O)CCC(=O)O

Technology Process of 4-Oxo-9,11,13-octadecatrienoic acid

There total 3 articles about 4-Oxo-9,11,13-octadecatrienoic acid 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:

→ 4-oxo-octadeca-9t,11t,13t-trienoic acid (690374-06-2)

Guidance literature:

With iodine; benzene; Irradiation_.im Sonnenlicht oder unter UV;

DOI:10.1021/ja01857a056

Reference yield:

diethyl ether (60-29-7,927820-24-4) + alpha-licanic acid (17699-20-6) + iodine (7553-56-2,12190-71-5,8031-47-8) → 4-oxo-octadeca-9t,11t,13t-trienoic acid (690374-06-2)

Guidance literature:

Sonnenlicht oder UV_.Irradiation;

Reference yield:

alpha-licanic acid (17699-20-6) + iodine (7553-56-2,12190-71-5,8031-47-8) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 4-oxo-octadeca-9t,11t,13t-trienoic acid (690374-06-2)

Guidance literature:

Sonnenlicht oder UV_.Irradiation;

upstream raw materials:

diethyl ether

alpha-licanic acid

iodine

benzene

Downstream raw materials:

4-oxooctadecanoic acid

valeric acid