trans-Octadec-7-ene

Base Information

• Chemical Name: trans-Octadec-7-ene
• CAS No.: 7206-23-7
• Molecular Formula: C18H36
• Molecular Weight: 252.484
• DSSTox Substance ID: DTXSID901315914
• Nikkaji Number: J363.995I,J474.316D
• Wikidata: Q27120685
• Metabolomics Workbench ID: 56685
• Mol file: 7206-23-7.mol

Synonyms:trans-octadec-7-ene;(E)-7-octadecene;(E)-octadec-7-ene;7-Octadecene;E-7-Octadecene;trans-7-octadecene;(7E)-octadec-7-ene;7206-23-7;(7E)-7-Octadecene;(7E)-7-Octadecene #;CHEBI:46697;VBDYOHYDAONYJK-FYWRMAATSA-N;DTXSID901315914;Q27120685

Chemical Property of trans-Octadec-7-ene

Chemical Property:

• Vapor Pressure: 0.000534mmHg at 25°C
• PSA: 0.00000
• LogP: 7.04380
• XLogP3: 9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 14
• Exact Mass: 252.281701148
• Heavy Atom Count: 18
• Complexity: 157

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCC=CCCCCCC
• Isomeric SMILES: CCCCCCCCCC/C=C/CCCCCC

Technology Process of trans-Octadec-7-ene

There total 12 articles about trans-Octadec-7-ene 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: 99.0%

n-octyne (629-05-0) + 1-bromo dodecane (112-29-8) → (E)-octadec-7-ene (7206-23-7)

Guidance literature:

n-octyne; With Schwartz's reagent; In tetrahydrofuran; at 20 ℃; for 1h;

1-bromo dodecane; With palladium(II) acetylacetonate; lithium bromide; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; at 55 ℃; for 24h;

DOI:10.1021/ja0393729

Reference yield: 67.0%

Acetic acid (E)-non-2-enyl ester + nonylmagnesium bromide (39691-62-8) → (E)-octadec-7-ene (7206-23-7)

Guidance literature:

With chloroform; iron(II) acetate; In diethyl ether; at 0 ℃; for 1h;

DOI:10.1039/c9ra07604b

Reference yield:

n-decylzinc iodide (344453-19-6) + (Z)-1-octenyl iodide (52356-93-1) → cis-octadec-7-ene (7206-35-1) + (E)-octadec-7-ene (7206-23-7) + oct-1-ene (111-66-0,25068-25-1) + hexadeca-7,9-diene (56318-80-0,6108-63-0,63024-99-7,71686-99-2)

Guidance literature:

With PEPPSI; In tetrahydrofuran; at 20 ℃; optical yield given as %de; stereoselective reaction; Inert atmosphere;

DOI:10.1021/ol2010165

upstream raw materials:

octadec-7-yne

cis-octadec-7-ene

(Z)-7,8-epoxyoctadecane

octadeca-1,11-diene

Refernces

• 1、 Bernauer, Josef,Wu, Guojiao,Von Wangelin, Axel. "Iron-catalysed allylation-hydrogenation sequences as masked alkyl-alkyl cross-couplings". . p. 31217 - 31223. Retrieved 2019/10/19.
• 2、 Wiskur, Sheryl L.,Korte, Alexander,Fu, Gregory C.. "Cross-Couplings of Alkyl Electrophiles under Ligandless Conditions: Negishi Reactions of Organozirconium Reagents". . p. 82 - 83. Retrieved 2007/10/03.