Oct-2-ene

Base Information

• Chemical Name: Oct-2-ene
• CAS No.: 111-67-1
• Molecular Formula: C8H16
• Molecular Weight: 112.215
• Hs Code.: 2901299090
• European Community (EC) Number: 203-894-2
• DSSTox Substance ID: DTXSID0059407
• Mol file: 111-67-1.mol

Synonyms:oct-2-ene;111-67-1;OCTENE-2;2-octeno;2-Octene, cis + trans;2-Octylene;octa-2-ene;oct-6-ene;DTXSID0059407;FT-0604931;FT-0613246;FT-0636540;O0042;D91810

Chemical Property of Oct-2-ene

Chemical Property:

• Vapor Pressure: 31 mm Hg ( 37.7 °C)
• Melting Point: -94 °C
• Refractive Index: n20/D 1.413(lit.)
• Boiling Point: 123 °C(lit.)
• PKA: 4.055[at 20 ℃]
• Flash Point: 16.6°C
• PSA: 0.00000
• Density: 0.727g/cm³
• LogP: 3.14280
• Water Solubility.: 2.7mg/L at 25℃
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 112.125200510
• Heavy Atom Count: 8
• Complexity: 53.1

Purity/Quality:

99.9% ^*data from raw suppliers

2-Octene (cis- and trans- mixture) >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,Xn
• Statements: 11-65
• Safety Statements: 16-62

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Unsaturated
• Canonical SMILES: CCCCCC=CC

Technology Process of Oct-2-ene

There total 189 articles about Oct-2-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: 64.0%

oct-1-ene (111-66-0,25068-25-1) + carbon monoxide (201230-82-2) → nonan-1-al (124-19-6) + octane (111-65-9) + 2-octene (111-67-1) + 2-methyl-1-octanal (49642-49-1,55352-42-6,72598-55-1,7786-29-0)

Guidance literature:

With water; hydrogen; triethylamine; {Ru2(μ-OOCC(CH3)3)2(CO)4(P(OPh)3)2}; In toluene; at 80 ℃; for 22h; under 22501.8 Torr; Product distribution; various catalysts;

DOI:10.1039/c39880001428

Reference yield: 54.0%

R(-)-octyl tosylate (27770-99-6) → rac-octan-2-ol (4128-31-8,113301-48-7,4128-32-9) + 2-octene (111-67-1) + oct-1-ene (111-66-0,25068-25-1) + (+)-2-Fluoroctane (56772-74-8)

Guidance literature:

With tetrabutyl ammonium fluoride; for 1h; Ambient temperature;

DOI:10.1021/jo00191a035

Reference yield: 52.0%

2-Octyl tosylate (1028-12-2) → 2-fluorooctane (407-95-4) + rac-octan-2-ol (4128-31-8,113301-48-7,4128-32-9) + 2-octene (111-67-1) + oct-1-ene (111-66-0,25068-25-1)

Guidance literature:

With tetrabutyl ammonium fluoride; for 1h; Ambient temperature;

DOI:10.1021/jo00191a035

upstream raw materials:

n-butyllithium

2-chloro-3-butene

diethyl ether

trans-but-2-enyl chloride

Downstream raw materials:

2-methyl-2-heptene

octanol

oct-2-yne

hexanal

Refernces

• 1、 Makhubela, Banothile C. E.,Jardine, Anwar,Smith, Gregory S.. "Rh(i) complexes supported on a biopolymer as recyclable and selective hydroformylation catalysts". . p. 338 - 347. Retrieved 2012.
• 2、 Ehrmaier, Andreas,L?bbert, Laura,Sanchez-Sanchez, Maricruz,Bermejo-Deval, Ricardo,Lercher, Johannes. "Impact of Alkali and Alkali-Earth Cations on Ni-Catalyzed Dimerization of Butene". . p. 3705 - 3711. Retrieved 2020.
• 3、 Downing, Stephen P.,Pogorzelec, Peter J.,Danopoulos, Andreas A.,Cole-Hamilton, David J.. "Indenyl- and fluorenyl-functionalized n-heterocyclic carbene complexes ofrhodium and iridium synthetic, structural and catalytic studies". . p. 1816 - 1824. Retrieved 2009.
• 4、 Elman, Bjoern,Moberg, Christina. "POLYMER-SUPPORTED 2,2'-DIPYRIDYLMETHANE: SYNTHESIS AND FORMATION OF TRANSITION METAL COMPLEXES". . p. 117 - 122. Retrieved 1985.
• 5、 Qian, Changtao,Zhu, Dunming,Li, Dongmei. "Studies on organolanthanide complexes. XLI. Cata;ytic isomerization of olefins by organolanthanide complex/sodium hydride systems". . p. 175 - 180. Retrieved 1992.
• 6、 Mirza-Aghayan, Maryam,Boukherroub, Rabah,Bolourtchian, Mohammad,Hoseini, Maryam,Tabar-Hydar, Kourosh. "A novel and efficient method for double bond isomerization". . p. 1 - 4. Retrieved 2003.
• 7、 Yadav, Rekha,Singh, Arvind Kumar,Sakthivel, Ayyamperumal. "Mesoporous silico-aluminophosphates derived from microporous precursors as promising catalyst for hydroisomerization". . p. 155 - 162. Retrieved 2015.
• 8、 Calderon et al.. "". . p. 4133. Retrieved 1968.
• 9、 Desset, Simon L.,Reader, Simon W.,Cole-Hamilton, David J.. "Aqueous-biphasic hydroformylation of alkenes promoted by "weak" surfactants". . p. 630 - 637. Retrieved 2009.
• 10、 Pawar, Gajanan M.,Buchmeiser, Michael R.,Weckesser, Jochen,Blechert, Siegfried. "Ring opening metathesis polymerization-derived block copolymers bearing chelating ligands: Synthesis, metal immobilization and use in hydroformylation under micellar conditions". . . Retrieved 2010.