(E)-9-oxooctadec-10-enoic Acid

Base Information

• Chemical Name: (E)-9-oxooctadec-10-enoic Acid
• CAS No.: 99640-11-6
• Molecular Formula: C18H32O3
• Molecular Weight: 296.45
• Nikkaji Number: J2.522.367E,J3.045.869I
• Metabolomics Workbench ID: 129787
• ChEMBL ID: CHEMBL256146
• Mol file: 99640-11-6.mol

Synonyms:(E)-9-oxooctadec-10-enoic Acid;Octadec-10-enoic acid, 9-oxo-, (E)-;99640-11-6;9-Oxo-10-octadecenoic acid;CHEMBL256146;(E)-9-Oxo-10-octadecenoic acid

Chemical Property of (E)-9-oxooctadec-10-enoic Acid

Chemical Property:

• Vapor Pressure: 6.45E-09mmHg at 25°C
• Boiling Point: 438.5°Cat760mmHg
• Flash Point: 233.2°C
• Density: 0.953g/cm³
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 15
• Exact Mass: 296.23514488
• Heavy Atom Count: 21
• Complexity: 295

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCC=CC(=O)CCCCCCCC(=O)O
• Isomeric SMILES: CCCCCCC/C=C/C(=O)CCCCCCCC(=O)O

Technology Process of (E)-9-oxooctadec-10-enoic Acid

There total 2 articles about (E)-9-oxooctadec-10-enoic 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:

trans-9-hydroperoxyoctadec-10-enoic acid (110551-46-7) → trans-11-oxooctadec-9-enoic acid (99640-09-2) + 11-hydroxy-9(E)-octadecenoic acid (110567-68-5) + (E)-11-Hydroperoxy-octadec-9-enoic acid (110551-49-0) + trans-9-oxooctadec-10-enoic acid (99640-11-6) + (10E)-9-hydroxy-10-octadecenoic acid (110657-92-6)

Guidance literature:

With oxygen; In hexane; at 40 ℃; for 5h; Product distribution; Mechanism; other hydroperoxides including 18O-labeled;

DOI:10.1021/jo00232a004

Reference yield:

cis-Octadecenoic acid (112-80-1,2027-47-6) → trans-10-oxooctadec-8-enoic acid (99640-12-7) + trans-11-oxooctadec-9-enoic acid (99640-09-2) + trans-9-oxooctadec-10-enoic acid (99640-11-6) + trans-8-oxooctadec-9-enoic acid (99640-10-5)

Guidance literature:

cis-Octadecenoic acid; With tert.-butylhydroperoxide; 3 A molecular sieve; In decane; ethyl acetate; at 20 ℃;

manganese triacetate; In decane; ethyl acetate; at 20 ℃; Further stages.;

DOI:10.1021/np070452q

Reference yield:

dopamine (51-61-6) + trans-9-oxooctadec-10-enoic acid (99640-11-6) → (E)-N-[2-(3,4-dihydroxyphenyl)ethyl]-9-oxo-octadec-10-enamide (1282617-45-1)

Guidance literature:

trans-9-oxooctadec-10-enoic acid; With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; triethylamine; In ethyl acetate; at 20 ℃; for 1h;

dopamine; In ethyl acetate; at 20 ℃; for 12h;

DOI:10.1016/j.bmc.2010.12.046

upstream raw materials:

trans-9-hydroperoxyoctadec-10-enoic acid

cis-Octadecenoic acid

Downstream raw materials:

9-oxo-octadecanoic acid

(E)-N-[2-(3,4-dihydroxyphenyl)ethyl]-9-oxo-octadec-10-enamide