2-Ethenyl-1-hexanol

Base Information

• Chemical Name: 2-Ethenyl-1-hexanol
• CAS No.: 53045-66-2
• Molecular Formula: C8H16O
• Molecular Weight: 128.214
• European Community (EC) Number: 610-948-2
• DSSTox Substance ID: DTXSID001315450
• Nikkaji Number: J1.427.779J
• Mol file: 53045-66-2.mol

Synonyms:2-Ethenyl-1-hexanol;SCHEMBL6247367;DTXSID001315450;53045-66-2

Chemical Property of 2-Ethenyl-1-hexanol

Chemical Property:

• Vapor Pressure: 0.286mmHg at 25°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 128.120115130
• Heavy Atom Count: 9
• Complexity: 69

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CO)C=C

Technology Process of 2-Ethenyl-1-hexanol

There total 6 articles about 2-Ethenyl-1-hexanol 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%

epoxybutene (930-22-3,62249-81-4) + n-butyllithium (109-72-8,29786-93-4) → 1-octen-3-ol (3391-86-4) + 2-butyl-but-3-en-1-ol (53045-66-2)

Guidance literature:

With boron trifluoride diethyl etherate; In diethyl ether; at -105 ℃; for 0.5h;

DOI:10.1039/b005472k

Reference yield: 45.0%

n-butyl magnesium bromide (693-03-8) + 2,2-dimethyl-4,7-dihydro-1,3-dioxepin (1003-83-4) → (E/Z)-2-buten-1-ol (6117-91-5,542-72-3) + (E)-6-dodecene (7206-17-9) + (E)-oct-2-en-1-ol (18409-17-1) + 2-butyl-but-3-en-1-ol (53045-66-2)

Guidance literature:

With 1,2-bis(diphenylphosphino)ethane nickel(II) chloride; In diethyl ether; for 5h; Ambient temperature;

Reference yield:

epoxybutene (930-22-3,62249-81-4) → (E)-oct-2-en-1-ol (18409-17-1) + (Z)-oct-2-en-1-ol (26001-58-1) + 1-octen-3-ol (3391-86-4) + 2-butyl-but-3-en-1-ol (53045-66-2)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 4h; Further Variations:; Reaction partners; Solvents; reaction time; Product distribution;

DOI:10.1002/ejoc.200300759

upstream raw materials:

n-butyl magnesium bromide

2-methyl-4,7-dihydro-1,3-dioxepine

2,2-dimethyl-4,7-dihydro-1,3-dioxepin

2-Nitro-2-vinyl-hexan-1-ol