Sterculic acid

Base Information

• Chemical Name: Sterculic acid
• CAS No.: 738-87-4
• Molecular Formula: C19H34O2
• Molecular Weight: 294.478
• UNII: MXV06G5ROK
• DSSTox Substance ID: DTXSID90970445
• Nikkaji Number: J12.302A
• Wikipedia: Sterculic_acid
• Wikidata: Q2345401
• Pharos Ligand ID: 5DKBF6CSZ35J
• Metabolomics Workbench ID: 1908
• ChEMBL ID: CHEMBL3677268
• Mol file: 738-87-4.mol

Synonyms:sterculic acid

Chemical Property of Sterculic acid

Chemical Property:

• Vapor Pressure: 3.49E-08mmHg at 25°C
• Melting Point: 19 °C
• Refractive Index: 1.486
• Boiling Point: 418.7 °C at 760 mmHg
• PKA: 4.78±0.10(Predicted)
• Flash Point: 315.4 °C
• PSA: 37.30000
• Density: 0.948 g/cm³
• LogP: 6.25260
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 294.255880323
• Heavy Atom Count: 21
• Complexity: 318

Purity/Quality:

98%Min ^*data from raw suppliers

Sterculic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Organic Acids
• Canonical SMILES: CCCCCCCCC1=C(C1)CCCCCCCC(=O)O

Technology Process of Sterculic acid

There total 4 articles about Sterculic 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:

1,ω-diiodoheptane (51526-03-5) → sterculic acid (738-87-4)

Guidance literature:

Multi-step reaction with 2 steps

1: butyl lithium, HMPA / Ambient temperature

2: aq. NaOH

With N,N,N,N,N,N-hexamethylphosphoric triamide; sodium hydroxide; n-butyllithium;

DOI:10.1016/S0040-4039(00)91664-2

Reference yield:

1,1,2-tribromo-2-n-octylcyclopropane (108176-04-1) → sterculic acid (738-87-4)

Guidance literature:

Multi-step reaction with 2 steps

1: butyl lithium, HMPA / Ambient temperature

2: aq. NaOH

With N,N,N,N,N,N-hexamethylphosphoric triamide; sodium hydroxide; n-butyllithium;

DOI:10.1016/S0040-4039(00)91664-2

Reference yield:

sodium cyanide (143-33-9,25596-52-5) + 1-(7-Iodo-heptyl)-2-octyl-cyclopropene (152389-88-3) → sterculic acid (738-87-4)

Guidance literature:

With sodium hydroxide;

DOI:10.1016/S0040-4039(00)91664-2

upstream raw materials:

sodium cyanide

1-(7-Iodo-heptyl)-2-octyl-cyclopropene

1,ω-diiodoheptane

1,1,2-tribromo-2-n-octylcyclopropane

Downstream raw materials:

methyl sterculate

8-((cis)-2-octylcyclopropyl)octanoic acid

Refernces