7-Octadecynoic acid

Base Information

• Chemical Name: 7-Octadecynoic acid
• CAS No.: 19220-35-0
• Molecular Formula: C18H32O2
• Molecular Weight: 280.451
• DSSTox Substance ID: DTXSID60402607
• Wikidata: Q82206032
• Metabolomics Workbench ID: 977
• ChEMBL ID: CHEMBL2397332
• Mol file: 19220-35-0.mol

Synonyms:FDCR 1 Protein;FDCR-1 Protein;Follicular Dendritic Cell Derived Receptor 1;Follicular Dendritic Cell-Derived Receptor-1;OCIF Protein;Osteoclastogenesis Inhibitory Factor;Osteoprotegerin;Receptors, Tumor Necrosis Factor, Member 11b;Tumor Necrosis Factor Receptor 11b;Tumor Necrosis Factor Receptor Superfamily, Member 11b

Chemical Property of 7-Octadecynoic acid

Chemical Property:

• Vapor Pressure: 1.07E-07mmHg at 25°C
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 280.240230259
• Heavy Atom Count: 20
• Complexity: 282

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCC#CCCCCCC(=O)O

Technology Process of 7-Octadecynoic acid

There total 8 articles about 7-Octadecynoic 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: 96.0%

C23H42O2 (1309764-78-0) → octadec-7-ynoic acid (19220-35-0)

Guidance literature:

With Jones reagent; In acetone; at 0 - 4 ℃;

DOI:10.1055/s-0030-1259912

Reference yield:

2-[(6-bromohexyl)oxy]tetrahydro-2H-pyran (53963-10-3) → octadec-7-ynoic acid (19220-35-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: n-butyllithium / tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; hexane / 0.5 h / -60 °C

1.2: -20 - 20 °C

2.1: Jones reagent / acetone / 0 - 4 °C

With Jones reagent; n-butyllithium; In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; hexane; acetone;

DOI:10.1055/s-0030-1259912

Reference yield:

1-bromo-6-hexanol (4286-55-9) → octadec-7-ynoic acid (19220-35-0)

Guidance literature:

Multi-step reaction with 3 steps

1.1: toluene-4-sulfonic acid / dichloromethane / 20 °C

2.1: n-butyllithium / tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; hexane / 0.5 h / -60 °C

2.2: -20 - 20 °C

3.1: Jones reagent / acetone / 0 - 4 °C

With Jones reagent; n-butyllithium; toluene-4-sulfonic acid; In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; hexane; dichloromethane; acetone;

DOI:10.1055/s-0030-1259912

upstream raw materials:

1-chloro-heptadec-6-yne

potassium cyanide

octadec-6-ynoic acid

5-chloropentan-1-ol

Downstream raw materials:

7-Octadecinsaeuremethylester

cis-7-octadecenoic(18:1)acid methyl ester

heptanedioic acid

Refernces