1,3,7-Octatriene

Base Information

• Chemical Name: 1,3,7-Octatriene
• CAS No.: 1002-35-3
• Molecular Formula: C8H12
• Molecular Weight: 108.183
• Hs Code.: 2901299090
• European Community (EC) Number: 213-686-3
• Nikkaji Number: J133.777G,J1.448.823E
• Mol file: 1002-35-3.mol

Synonyms:1,3,7-Octatriene;.alpha.-Ocimene;1002-35-3;(3E)-1,3,7-Octatriene #;(3E)-octa-1,3,7-triene;1,3,7-Octatriene, E;(E)-octa-1,3,7-triene;(3E)-1,3,7-Octatriene;ZTJHDEXGCKAXRZ-FNORWQNLSA-N;AKOS006274416

Chemical Property of 1,3,7-Octatriene

Chemical Property:

• Vapor Pressure: 15.3mmHg at 25°C
• Boiling Point: 124.5°C at 760 mmHg
• Flash Point: 14.5°C
• PSA: 0.00000
• Density: 0.749g/cm³
• LogP: 2.69480
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 108.093900383
• Heavy Atom Count: 8
• Complexity: 88.2

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,3,7-Octatriene

There total 107 articles about 1,3,7-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: 92.0%

buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → octa-1,3,7-triene (1002-35-3)

Guidance literature:

With sodium isopropylate; (imidazol-2-ylidine ligand)Pd(1,3-divinyl-Me₄-disiloxane); In isopropyl alcohol; at 70 ℃; for 16h;

DOI:10.1021/ol048025g

Reference yield: 70.0%

cyclohexenone (930-68-7) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → octa-1,3,7-triene (1002-35-3) + 2-(3'-oxocyclohexyl)-2-cyclohexen-1-one (5216-84-2) + 2-(octa-2,7-dienyl)cyclohex-2-en-1-one + 2,2-bis(octa-2,7-dienyl)cyclohex-3-en-1-one

Guidance literature:

With water; triethylphosphine; di-μ-acetato-bis[(2-methylallyl)palladium(II)]; at 80 ℃; for 20h; Product distribution; Mechanism; further catalysts;

Reference yield: 17.0%

cyclohexenone (930-68-7) → octa-1,3,7-triene (1002-35-3) + 2-(3'-oxocyclohexyl)-2-cyclohexen-1-one (5216-84-2)

Guidance literature:

With water; buta-1,3-diene; triethylphosphine; di-μ-acetato-bis[(2-methylallyl)palladium(II)]; at 80 ℃; for 20h;

upstream raw materials:

1,4-Pentadiene

allyl bromide

3-chloroprop-1-ene

phenyl sodium

Downstream raw materials:

octane

Refernces

• 1、 Pews-Davtyan,Jackstell,Spannenberg,Beller. "Zwitterionic phosphonium ligands: Synthesis, characterization and application in telomerization of 1,3-butadiene". . p. 7568 - 7571. Retrieved 2016.
• 2、 Furukawa et al.. "". . p. 65. Retrieved 1973.
• 3、 Inoue,Y. et al.. "-". . p. 2375 - 2378. Retrieved 1978.
• 4、 Kohnle et al.. "". . p. 5904. Retrieved 1969.
• 5、 Potapov, G. P.,Punegov, V. V.,Dzhemilev, U. M.. "OLIGOMERIZATION OF BUTADIENE IN THE PRESENCE OF METAL COMPOUNDS IMMOBILIZED ON POLYMERIC CARRIERS. COMMUNICATION 1. IRON COMPLEXES IMMOBILIZED IN THE BULK OF A POLYMER GEL IN THE REACTION OF LINEAR DIMERIZATION OF BUTADIENE". . p. 1342 - 1345. Retrieved 1985.
• 6、 Abramov, Z. D.,Borodina, T. N.,Bykov, M. V.,Ratovskii, G. V.,Smirnov, V. I.,Suslov, D. S.,Tkach, V. S.,Ushakov, I. A.. "Cationic palladium(II)–acetylacetonate complexes containing phosphine and aminophosphine ligands and their catalytic activities in telomerization of 1,3-butadiene with methanol". . . Retrieved 2020.
• 7、 Harkal, Surendra,Jackstell, Ralf,Nierlich, Franz,Ortmann, Dagmara,Beller, Matthias. "Development of a highly selective and efficient catalyst for 1,3-butadiene dimerization". . p. 541 - 544. Retrieved 2005.
• 8、 Nakano, Ryo,Ito, Shingo,Nozaki, Kyoko. "Copolymerization of carbon dioxide and butadiene via a lactone intermediate". . p. 325 - 331. Retrieved 2014.
• 9、 Dong, Kaiwu,Shen, Chaoren,Tian, Xinxin,Xu, Zhengshuai,Zhang, Hongru. "Improving the performance of palladium-catalysed telomerization of 1,3-butadiene by metallocene-based phosphine ligand". . . Retrieved 2021/09/24.