Phosphoric acid, hexadecyl diphenyl ester

Base Information

• Chemical Name: Phosphoric acid, hexadecyl diphenyl ester
• CAS No.: 56827-92-0
• Molecular Formula: C28H43 O4 P
• Molecular Weight: 474.621
• DSSTox Substance ID: DTXSID9069132
• Nikkaji Number: J1.168.182D
• Wikidata: Q81995936
• Mol file: 56827-92-0.mol

Synonyms:Phosphoric acid, hexadecyl diphenyl ester;56827-92-0;hexadecyl diphenyl phosphate;Phosphoric acid,hexadecyl diphenyl ester;SCHEMBL1547954;DTXSID9069132;Phosphoric acid hexadecyldiphenyl ester

Chemical Property of Phosphoric acid, hexadecyl diphenyl ester

Chemical Property:

• Vapor Pressure: 1.08E-10mmHg at 25°C
• Boiling Point: 527.6°C at 760 mmHg
• Flash Point: 285.9°C
• PSA: 54.57000
• Density: 1.031g/cm³
• LogP: 9.75040
• XLogP3: 10.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 20
• Exact Mass: 474.28989685
• Heavy Atom Count: 33
• Complexity: 462

Purity/Quality:

99% ^*data from raw suppliers

HexadecylDiphenylPhosphate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCOP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
• Uses: Hexadecyl Diphenyl Phosphate has been used in the preparation of synthetic analogues of Irlbacholine, which is a novel antifungal plant metabolite isolated from Irlbachia Alata.

Technology Process of Phosphoric acid, hexadecyl diphenyl ester

There total 3 articles about Phosphoric acid, hexadecyl diphenyl ester 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: 95.0%

1-Hexadecanol (36653-82-4,124-29-8) + chlorophosphoric acid diphenyl ester (2524-64-3) → n-hexadecyl diphenyl phosphonate (56827-92-0)

Guidance literature:

With pyridine; In dichloromethane; for 2h; Ambient temperature;

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

Reference yield:

1-Hexadecanol (36653-82-4,124-29-8) → n-hexadecyl diphenyl phosphonate (56827-92-0)

Guidance literature:

With trichlorophosphate; Behandeln des Reaktionsprodukts mit Natriumphenolat in Wasser;

DOI:10.1021/ie50529a062

Reference yield:

1-iodohexadecane (544-77-4) → n-hexadecyl diphenyl phosphonate (56827-92-0)

Guidance literature:

With benzene;

upstream raw materials:

1-Hexadecanol

chlorophosphoric acid diphenyl ester

1-iodohexadecane

Downstream raw materials:

hexadecyl dihydrogen phosphate

Phosphoric acid 4-benzyloxy-cyclohexyl ester hexadecyl ester

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