Hexadecyl dihydrogen phosphate

Base Information

• Chemical Name: Hexadecyl dihydrogen phosphate
• CAS No.: 3539-43-3
• Deprecated CAS: 175597-82-7
• Molecular Formula: C16H35O4P
• Molecular Weight: 322.425
• European Community (EC) Number: 222-581-1
• UNII: VT07D6X67O
• DSSTox Substance ID: DTXSID1045039
• Nikkaji Number: J216.184B
• Wikidata: Q27292009
• RXCUI: 1306184
• ChEMBL ID: CHEMBL479322
• Mol file: 3539-43-3.mol

Synonyms:hexadecyl phosphate

Chemical Property of Hexadecyl dihydrogen phosphate

Chemical Property:

• Vapor Pressure: 5.8E-09mmHg at 25°C
• Melting Point: 71 °C
• Refractive Index: 1.464
• Boiling Point: 439.8 °C at 760 mmHg
• PKA: 1.95±0.10(Predicted)
• Flash Point: 219.8 °C
• PSA: 76.57000
• Density: 1.013 g/cm³
• LogP: 5.57700
• Water Solubility.: 1mg/L at 25℃
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 16
• Exact Mass: 322.22729659
• Heavy Atom Count: 21
• Complexity: 253

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Hexadecyl dihydrogen phosphate

There total 14 articles about Hexadecyl dihydrogen 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: 92.0%

Phosphoric acid dibenzyl ester hexadecyl ester → hexadecyl dihydrogen phosphate (3539-43-3)

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: 78.0%

n-hexadecyl diphenyl phosphonate (56827-92-0) → hexadecyl dihydrogen phosphate (3539-43-3)

Guidance literature:

With hydrogen; platinum(IV) oxide; In ethanol; at 22 ℃; for 0.5h; under 2280 Torr;

DOI:10.1016/0223-5234(94)90146-5

Reference yield: 32.0%

1-Hexadecanol (36653-82-4,124-29-8) → hexadecyl dihydrogen phosphate (3539-43-3)

Guidance literature:

With pyridine; trichlorophosphate; In chloroform; water; acetonitrile;

DOI:10.1021/jm00380a004

upstream raw materials:

chloroform

1-Hexadecanol

ethyl metaphosphate

n-hexadecyl diphenyl phosphonate

Downstream raw materials:

Phosphoric acid 4-benzyloxy-cyclohexyl ester hexadecyl ester

2-[benzyl(dimethyl)ammonio]ethyl hexadecyl phosphate

2-[benzyl(dimethyl)ammonio]propyl hexadecyl phosphate

P¹-(1-hexadecyl)-P²-(1-β-D-arabinofuranosylcytosin-5'-yl)pyrophosphate

Refernces

• 1、 Luká?, Milo?,Mrva, Martin,Garajová, Mária,Moj?i?ová, Gabriela,Varinská, Lenka,Moj?i?, Ján,Sabol, Marián,Kubincová, Janka,Haragová, Hana,Ondriska, Franti?ek,Devínsky, Ferdinand. "Synthesis, self-aggregation and biological properties of alkylphosphocholine and alkylphosphohomocholine derivatives of cetyltrimethylammonium bromide, cetylpyridinium bromide, benzalkonium bromide (C16) and benzethonium chloride". . p. 46 - 55. Retrieved 2013/10/01.
• 2、 Zaky. "The biocidal activity of some phosphate cationic surfactant complexes". experimental part. p. 31 - 38. Retrieved 2010/04/05.