Behenyl phosphate

Base Information

• Chemical Name: Behenyl phosphate
• CAS No.: 23079-25-6
• Molecular Formula: C₂₂H₄₇O₄P
• Molecular Weight: 406.587
• UNII: 366D9UAY69
• DSSTox Substance ID: DTXSID7066855
• Nikkaji Number: J422.110I
• Wikidata: Q27256535
• Mol file: 23079-25-6.mol

Synonyms:behenyl phosphate;Docosyl phosphate;23079-25-6;1-Docosanol, dihydrogen phosphate;366D9UAY69;1-Docosanol, 1-(dihydrogen phosphate);UNII-366D9UAY69;Phosphoric acid dihydrogen docosyl ester;MONOBEHENYL PHOSPHATE;SCHEMBL1191894;DTXSID7066855;DIHYDROGEN MONODOCOSYL PHOSPHATE;Q27256535

Chemical Property of Behenyl phosphate

Chemical Property:

• Vapor Pressure: 5.4E-12mmHg at 25°C
• Boiling Point: 515°Cat760mmHg
• Flash Point: 265.3°C
• PSA: 76.57000
• Density: 0.974g/cm³
• LogP: 7.91760
• XLogP3: 9.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 22
• Exact Mass: 406.32119697
• Heavy Atom Count: 27
• Complexity: 330

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCOP(=O)(O)O

Technology Process of Behenyl phosphate

There total 3 articles about Behenyl phosphate 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: 71.0%

phosphoric Acid dibenzyl ester docosanyl ester (80078-48-4) → Mono-n-docosyl-phosphorsaeureester (23079-25-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; at 20 ℃; for 8h; under 2585.74 Torr;

DOI:10.1124/mol.63.5.1032

Reference yield:

1-docosanol (661-19-8) → Mono-n-docosyl-phosphorsaeureester (23079-25-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 1H-tetrazole / CH₂Cl₂ / 2 h / 25 °C

1.2: 88 percent / peracetic acid / CH₂Cl₂ / -38 - 0 °C

2.1: 71 percent / H₂ / Pd/C / methanol / 8 h / 20 °C / 2585.74 Torr

With 1H-tetrazole; hydrogen; palladium on activated charcoal; In methanol; dichloromethane;

DOI:10.1124/mol.63.5.1032

Reference yield:

→ Mono-n-docosyl-phosphorsaeureester (23079-25-6)

Guidance literature:

n-Docosylalkohol, Phosphorsaeure;

upstream raw materials:

phosphoric Acid dibenzyl ester docosanyl ester

1-docosanol

Refernces

• 1、 -. "LPA receptor agonists and antagonists and methods of use". . . Retrieved 2008/06/13.