2-Butyl-1-octene

Base Information

• Chemical Name: 2-Butyl-1-octene
• CAS No.: 5698-48-6
• Molecular Formula: C12H24
• Molecular Weight: 168.323
• European Community (EC) Number: 611-440-3
• DSSTox Substance ID: DTXSID40337802
• Nikkaji Number: J132.990A
• Wikidata: Q82105847
• Mol file: 5698-48-6.mol

Synonyms:2-Butyl-1-octene;5698-48-6;Undecane, 5-methylene-;5-methylideneundecane;2-butyl-oct-1-ene;Undecane,5-methylene-;1-Octene, 2-butyl-;5-methylene-undecane;DTXSID40337802

Chemical Property of 2-Butyl-1-octene

Chemical Property:

• Vapor Pressure: 0.292mmHg at 25°C
• Boiling Point: 209.5°C at 760 mmHg
• Flash Point: 72.2°C
• PSA: 0.00000
• Density: 0.759g/cm³
• LogP: 4.70320
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 8
• Exact Mass: 168.187800766
• Heavy Atom Count: 12
• Complexity: 103

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(=C)CCCC

Technology Process of 2-Butyl-1-octene

There total 21 articles about 2-Butyl-1-octene 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: 78.0%

1-hexene (592-41-6,25067-06-5) → 7-butyl-5-methylenetridecane + 2-butyl-1-octene (5698-48-6) + C24H48

Guidance literature:

With C₅₅H₆₂O₂S₂Zr; In toluene; at 25 ℃; for 1.08333h; Reagent/catalyst; Temperature; regioselective reaction; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.organomet.8b00411

Reference yield: 70.0%

1-hexene (592-41-6,25067-06-5) → 2-butyl-1-octene (5698-48-6) + di(n-hexyl)aluminum chloride (2674-15-9)

Guidance literature:

With zirconium (IV) butoxide; In toluene; at 50 ℃; for 4h;

DOI:10.1007/BF00953581

Reference yield:

1-hexene (592-41-6,25067-06-5) + propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) → 2-butyl-1-octene (5698-48-6) + 4-methyleneoctane (62187-09-1) + 2-methyl-1-octene (4588-18-5) + 2-hexene (592-43-8)

Guidance literature:

With zirconium (IV) butoxide; diethylaluminium chloride; In toluene; at 20 ℃; Yield given. Yields of byproduct given;

DOI:10.1007/BF00951226

upstream raw materials:

1-hexene

propene

oct-1-ene

trimethylaluminum

Downstream raw materials:

undecan-5-one

2-(n-butyl)octanol

(2-butyloctyl)ethylaluminum chloride

ethene

Refernces

• 1、 Nakata, Norio,Nakamura, Kazuaki,Ishii, Akihiko. "Highly Efficient and 1,2-Regioselective Method for the Oligomerization of 1-Hexene Promoted by Zirconium Precatalysts with [OSSO]-Type Bis(phenolate) Ligands". . p. 2640 - 2644. Retrieved 2018/08/21.
• 2、 Nifant'ev, Ilya E.,Vinogradov, Alexey A.,Vinogradov, Alexander A.,Bezzubov, Stanislav I.,Ivchenko, Pavel V.. "Catalytic oligomerization of α-olefins in the presence of two-stage activated zirconocene catalyst based on 6,6-dimethylfulvene ‘dimer’". . p. 35 - 37. Retrieved 2017/02/05.