1,5-Octadien-3-ol

Base Information

• Chemical Name: 1,5-Octadien-3-ol
• CAS No.: 50306-14-4
• Molecular Formula: C8H14O
• European Community (EC) Number: 639-231-2
• UNII: TE91VW9O5A
• DSSTox Substance ID: DTXSID401314159
• Nikkaji Number: J451.231F
• Metabolomics Workbench ID: 3346
• Mol file: 50306-14-4.mol

Synonyms:octa-1,5-dien-3-ol;octa-1,5-dien-3-ol, (E)-isomer

Chemical Property of 1,5-Octadien-3-ol

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 126.104465066
• Heavy Atom Count: 9
• Complexity: 94.7

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC=CCC(C=C)O
• Isomeric SMILES: CC/C=C/CC(C=C)O

Technology Process of 1,5-Octadien-3-ol

There total 4 articles about 1,5-Octadien-3-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:

1-Penten-3-ol (616-25-1) + acrolein (107-02-8,25068-14-8) → (Z)-(RS)-1,5-octadien-3-ol (50306-18-8,83861-74-9) + (E)-(RS)-1,5-octadien-3-ol (50306-14-4,83861-74-9)

Guidance literature:

Yield given. Multistep reaction. Yields of byproduct given;

DOI:10.1021/ja00006a066

Reference yield:

(E)-3-hexen-1-ol (928-97-2) → (E)-(RS)-1,5-octadien-3-ol (50306-14-4,83861-74-9)

Guidance literature:

Multi-step reaction with 2 steps

1: Dess-Martin periodane / dichloromethane / 3 h / 20 °C

2: tetrahydrofuran / 0 - 20 °C

With Dess-Martin periodane; In tetrahydrofuran; dichloromethane; 1: |Dess-Martin Oxidation / 2: |Grignard Reaction;

DOI:10.1021/jf404885j

Reference yield:

(E)-3-hexenal (69112-21-6) + vinyl magnesium bromide (1826-67-1) → (E)-(RS)-1,5-octadien-3-ol (50306-14-4,83861-74-9)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.1021/jf404885j

upstream raw materials:

1-Penten-3-ol

acrolein

1-ethylprop-2-enyl phenyl sulphide

(E)-3-hexenal

Downstream raw materials:

(E)-octa-1,5-dien-3-one