3,5-Octadiene

Base Information

• Chemical Name: 3,5-Octadiene
• CAS No.: 7348-75-6
• Molecular Formula: C₈H₁₄
• Molecular Weight: 110.199
• DSSTox Substance ID: DTXSID801314987
• Nikkaji Number: J327.293A,J330.697F,J330.700J
• Mol file: 7348-75-6.mol

Synonyms:3,5-Octadiene;25001-92-7;trans-3,trans-5-octadiene;(3e,5z)-3,5-octadiene;3,5-Octadiene, (E,E)-;HWXQYUCHSICMAS-KQQUZDAGSA-N;DTXSID801314987;7348-75-6

Chemical Property of 3,5-Octadiene

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 110.109550447
• Heavy Atom Count: 8
• Complexity: 66

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3,5-Octadiene

There total 9 articles about 3,5-Octadiene 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: 50.0%

(E)/(Z)-1-bromo-1-butene (31844-98-1) → 3,5-Octadiene (7348-75-6,25001-92-7)

Guidance literature:

With [2,2]bipyridinyl; (2,2'-bipyridine)nickel(II) dibromide; In various solvent(s); at 20 ℃; electrochemical reaction, magnesium anode, gold gauze cathode, -1,2 V;

DOI:10.1016/0022-328X(86)80118-8

Reference yield:

1,7-Octadiene (3710-30-3) → 3,5-Octadiene (7348-75-6,25001-92-7) + 2,4-Octadiene (13643-08-8)

Guidance literature:

bis(cyclopentadienyl)titanium dichloride; lithium aluminium tetrahydride; at 170 ℃; for 5h; Title compound not separated from byproducts;

DOI:10.1055/s-1982-29697

Reference yield:

1,7-Octadiene (3710-30-3) → 3,5-Octadiene (7348-75-6,25001-92-7)

Guidance literature:

With aluminium oxide-chromium oxide; at 250 ℃;

upstream raw materials:

1,7-Octadiene

trans-3-hexen-1-yne

triethylaluminum

(E)/(Z)-1-bromo-1-butene

Refernces

• 1、 -. "Chemical process". . . Retrieved 2008/06/13.
• 2、 Caporusso, Anna Maria,Giacomelly, Giampaolo,Lardicci, Luciano. "Metal Catalysis in Organic Reactions. Part 13. The Reaction of 3-En-1-ynes with Trialkylalanes: Influence of Transition-metal Complexes". . p. 1900 - 1908. Retrieved 2007/10/02.