13-Hydroxydocosanoic acid

Base Information

• Chemical Name: 13-Hydroxydocosanoic acid
• CAS No.: 13980-16-0
• Molecular Formula: C22H44 O3
• Molecular Weight: 356.59
• Hs Code.: 2918199090
• DSSTox Substance ID: DTXSID50930601
• Nikkaji Number: J297.187I
• Wikidata: Q27102316
• Metabolomics Workbench ID: 1405
• Mol file: 13980-16-0.mol

Synonyms:13-hydroxydocosanoic acid

Chemical Property of 13-Hydroxydocosanoic acid

Chemical Property:

• Vapor Pressure: 1.5E-11mmHg at 25°C
• Melting Point: 87-87.5 °C
• Boiling Point: 487.5°Cat760mmHg
• PKA: 4.78±0.10(Predicted)
• Flash Point: 262.7°C
• PSA: 57.53000
• Density: 0.928g/cm³
• LogP: 6.86370
• XLogP3: 7.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 20
• Exact Mass: 356.32904526
• Heavy Atom Count: 25
• Complexity: 278

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC(CCCCCCCCCCCC(=O)O)O

Technology Process of 13-Hydroxydocosanoic acid

There total 24 articles about 13-Hydroxydocosanoic 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:

methyl 13-oxodocosanoate (2388-99-0) → 13-hydroxy-docosanoic acid (13980-16-0)

Guidance literature:

With ethyl acetate; platinum; Hydrogenation_.Erwaermen des Reaktionsprodukts mit aethanol. Kalilauge;

Reference yield:

cis-methyl 12-(3-octyloxiran-2-yl)dodecanoate (6084-74-8,6084-75-9,87575-32-4) → 13-hydroxy-docosanoic acid (13980-16-0)

Guidance literature:

Multi-step reaction with 2 steps

1: (i), (ii) PBr₅, (iii) Zn, AcOH

2: KOH, EtOH

With potassium hydroxide; ethanol;

Reference yield:

13-acetoxy-docosanoic acid methyl ester (96769-66-3) → 13-hydroxy-docosanoic acid (13980-16-0)

Guidance literature:

With potassium hydroxide; ethanol;

upstream raw materials:

cis-13-docosenoic acid

methyl 13-oxodocosanoate

14-methoxy-13-oxo-docosanoic acid

13-hydroxy-docosanoic acid methyl ester

Downstream raw materials:

cis-13-docosenoic acid