1,3,6-Octatriene

Base Information

• Chemical Name: 1,3,6-Octatriene
• CAS No.: 22038-69-3
• Molecular Formula: C8H12
• Molecular Weight: 108.183
• Nikkaji Number: J125.001I,J125.003E,J110.352K
• Wikidata: Q77564372
• Metabolomics Workbench ID: 103954
• Mol file: 22038-69-3.mol

Synonyms:1,3,6-Octatriene;22038-69-3;octa-1,3,6-triene;(3E,6E)-octa-1,3,6-triene;929-20-4;(3E,6E)-1,3,6-Octatriene;(3Z,6E)-1,3,6-Octatriene;PKHBEGZTQNOZLP-YDFGWWAZSA-N;1,3,6-OCTATRIENE (E,E);22038-68-2

Chemical Property of 1,3,6-Octatriene

Chemical Property:

• Vapor Pressure: 11.7mmHg at 25°C
• Boiling Point: 130.8°Cat760mmHg
• Flash Point: 17.6°C
• PSA: 0.00000
• Density: 0.756g/cm³
• LogP: 2.69480
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 108.093900383
• Heavy Atom Count: 8
• Complexity: 96.6

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CCC=CC=C
• Isomeric SMILES: C/C=C/C/C=C/C=C

Technology Process of 1,3,6-Octatriene

There total 8 articles about 1,3,6-Octatriene 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: 55.0%

2-vinylpyridine (100-69-6,25014-15-7,27476-03-5,329041-71-6) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → 1,5-cis,cis-cyclooctadiene (1552-12-1,111-78-4) + 2-(3-cyclohexenyl)pyridine (167560-56-7) + (E,E)-1,3,6-Octatriene (22038-69-3) + 4-ethenylcyclohexene (100-40-3) + 2-(1E,4E,9-decatrienyl)pyridine + (1E,5E,9E)-cyclododeca-1,5,9-triene (676-22-2)

Guidance literature:

With bis(acetylacetonate)nickel(II); triethylaluminum; triphenylphosphine; In benzene; at 110 ℃; for 6h; Product distribution; other metal complexes;

DOI:10.1007/BF00698950

Reference yield:

buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → (E)-1,3,7-octatriene (26198-79-8) + 1,5-cis,cis-cyclooctadiene (1552-12-1,111-78-4) + (E,E,E)-2,4,6-octatriene (15192-80-0) + (E,E)-1,3,6-Octatriene (22038-69-3) + 4-ethenylcyclohexene (100-40-3) + 1-methylene-2-vinylcyclopentane (6196-78-7)

Guidance literature:

With L-ISOLEUCIPHOS; bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; In methanol; toluene; at 60 ℃; for 6h; Product distribution; other cocatalysts (ligands), other temperatures, other reaction times, other proportions of ligands, solvent, and reactants;

Reference yield:

buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → 1,5-cis,cis-cyclooctadiene (1552-12-1,111-78-4) + (E,E)-1,3,6-Octatriene (22038-69-3) + 4-ethenylcyclohexene (100-40-3)

Guidance literature:

With Mg*C₄H₆; In diethyl ether; Mechanism; Product distribution; Ambient temperature; with a lot of various Fe-catalysts;

upstream raw materials:

2-vinylpyridine

buta-1,3-diene

N-methyl-N-(2E,7-octadienyl)aniline

Refernces

• 1、 Selimov, F. A.,Ptashko, O. A.,Fatykhov, A. A.,Khalikova, N. R.,Dzhemilev, U. M.. "Interaction of vinylpyridines with 1,3-dienes catalyzed by transition metal complexes". . p. 872 - 878. Retrieved 2007/10/02.
• 2、 Dzhemileva, G. A.,Odinokov, V. N.,Dzhemilev, U. M.. "OXIDATION OF UNSATURATED TERTIARY AMINES, AMIDES, AND IMIDES BY MOLECULAR OXYGEN CATALYZED BY PALLADIUM COMPLEXES". . p. 1929 - 1932. Retrieved 2007/10/02.