2-Propyl-1-hexene

Base Information

• Chemical Name: 2-Propyl-1-hexene
• CAS No.: 62187-09-1
• Molecular Formula: C9H18
• Molecular Weight: 126.242
• DSSTox Substance ID: DTXSID30423809
• Wikidata: Q82236103
• Mol file: 62187-09-1.mol

Synonyms:2-propyl-1-hexene;4-methyleneoctane;62187-09-1;DTXSID30423809;BWGGEKJMCRHXKX-UHFFFAOYSA-N

Chemical Property of 2-Propyl-1-hexene

Chemical Property:

• PSA: 0.00000
• LogP: 3.53290
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 126.140850574
• Heavy Atom Count: 9
• Complexity: 72.1

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=C)CCC

Technology Process of 2-Propyl-1-hexene

There total 3 articles about 2-Propyl-1-hexene 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: 75.0%

1-hexene (592-41-6,25067-06-5) + di-n-propylaluminum chloride (3710-19-8) → 4-methyleneoctane (62187-09-1) + 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

Reference yield:

n-hexan-2-one (591-78-6) + propylmagnesium iodide (10557-57-0) → 4-methyl-4-octanol (23418-37-3) + 4-methyleneoctane (62187-09-1)

Guidance literature:

With diethyl ether; at 10 - 15 ℃;

upstream raw materials:

n-hexan-2-one

propylmagnesium iodide

1-hexene

propene

Downstream raw materials:

ethylidenecyclohexane