1,2-Octadien-4-ol

Base Information

• Chemical Name: 1,2-Octadien-4-ol
• CAS No.: 57649-52-2
• Molecular Formula: C8H14O
• Molecular Weight: 126.199
• DSSTox Substance ID: DTXSID60445918
• Nikkaji Number: J1.191.897B
• Mol file: 57649-52-2.mol

Synonyms:1,2-octadien-4-ol;Octa-1,2-dien-4-ol;57649-52-2;1,2-Octadiene-4-ol;DTXSID60445918

Chemical Property of 1,2-Octadien-4-ol

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 126.104465066
• Heavy Atom Count: 9
• Complexity: 101

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(C=C=C)O

Technology Process of 1,2-Octadien-4-ol

There total 2 articles about 1,2-Octadien-4-ol 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:

pentanal (110-62-3) + propargyl bromide (106-96-7) → 1-octyn-4-ol (52517-92-7) + octa-1,2-dien-4-ol (57649-52-2)

Guidance literature:

With tin; hydrogen bromide; In tetrahydrofuran; for 2h; Yield given. Yields of byproduct given; Ambient temperature;

Reference yield:

pentanal (110-62-3) + allenyl iodide (2936-44-9) → 1-octyn-4-ol (52517-92-7) + octa-1,2-dien-4-ol (57649-52-2)

Guidance literature:

With diethylzinc; Yield given. Multistep reaction. Yields of byproduct given; 1.) ether, 0 deg C, 2.) ether, 0 deg C;

DOI:10.1016/0040-4020(95)00700-I

Reference yield: 92.0%

iodobenzene (591-50-4) + octa-1,2-dien-4-ol (57649-52-2) + benzylamine (100-46-9) → (Z)-1-Benzylamino-2-phenyl-oct-2-en-4-ol

Guidance literature:

With triethylamine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; at 77 ℃; for 45h;

DOI:10.1021/ja0035553

upstream raw materials:

pentanal

propargyl bromide

allenyl iodide

Downstream raw materials:

N-(1-butyl-buta-2,3-dienyl)-4-methyl-benzenesulfonamide