5Z-Octadecenoic acid

Base Information

• Chemical Name: 5Z-Octadecenoic acid
• CAS No.: 676-29-9
• Molecular Formula: C18H34O2
• Molecular Weight: 282.46100
• DSSTox Substance ID: DTXSID801314068
• Nikkaji Number: J650.009I
• Metabolomics Workbench ID: 714
• Mol file: 676-29-9.mol

Synonyms:5Z-Octadecenoic acid;(Z)-octadec-5-enoic acid;676-29-9;cis-5-octadecenoic acid;5-Octadecenoic acid, (5Z)-;C18:1n-13;starbld0009813;(Z)-5-Octadecenoic acid;SCHEMBL2572990;DTXSID801314068;LMFA01030296

Chemical Property of 5Z-Octadecenoic acid

Chemical Property:

• PSA: 37.30000
• LogP: 6.10850
• XLogP3: 7.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 282.255880323
• Heavy Atom Count: 20
• Complexity: 234

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCC=CCCCC(=O)O
• Isomeric SMILES: CCCCCCCCCCCC/C=C\CCCC(=O)O

Technology Process of 5Z-Octadecenoic acid

There total 7 articles about 5Z-Octadecenoic acid 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: 74.0%

→ cis-Octadec-5-ensaeure (676-29-9,4682-40-0)

Guidance literature:

With (Z)-2-Butene; C₃₇H₄₀Cl₂N₂ORuS₂; In tetrahydrofuran; at 22 ℃; under 100 Torr; Inert atmosphere; Glovebox; Sealed tube;

Reference yield:

1-dodecylbromide (143-15-7) → cis-Octadec-5-ensaeure (676-29-9,4682-40-0)

Guidance literature:

Multi-step reaction with 3 steps

1: (i) LiNH₂, liq. NH₃, THF, (ii) /BRN= 506159/, THF

2: H₂CrO₄ / acetone / 15 - 20 °C

3: (hydrogenation)

With chromic acid; In acetone;

DOI:10.1039/jr9650000894

Reference yield:

5-hexyl-1-ol (928-90-5) → cis-Octadec-5-ensaeure (676-29-9,4682-40-0)

Guidance literature:

Multi-step reaction with 3 steps

1: (i) LiNH₂, liq. NH₃, THF, (ii) /BRN= 506159/, THF

2: H₂CrO₄ / acetone / 15 - 20 °C

3: (hydrogenation)

With chromic acid; In acetone;

DOI:10.1039/jr9650000894

upstream raw materials:

octadeca-5-ynoic acid

5-hexyl-1-ol

N,N-dimethylhex-5-ynoylamide

5-octadecyn-1-ol