Didecyl phosphonate

Base Information

• Chemical Name: Didecyl phosphonate
• CAS No.: 7000-66-0
• Molecular Formula: C20H43 O3 P
• Molecular Weight: 362.533
• European Community (EC) Number: 230-275-4
• DSSTox Substance ID: DTXSID70990247
• Wikidata: Q82979639
• Mol file: 7000-66-0.mol

Synonyms:Didecyl phosphonate;7000-66-0;didecoxy(oxo)phosphanium;di-n-Decyl phosphite;Phosphorous acid di-n-decyl ester;DI-N-DECYLPHOSPHITE;Bis(decyloxy)(oxo)phosphanium;SCHEMBL186874;Phosphonic acid, didecyl ester;DTXSID70990247;OGFPOHXPNWDPSW-UHFFFAOYSA-N;EINECS 230-275-4;FT-0625174

Chemical Property of Didecyl phosphonate

Chemical Property:

• Melting Point: 13-14°C
• Boiling Point: 190-191 °C(Press: 0.04 Torr)
• PSA: 59.00000
• Density: 0.9157 g/cm3
• LogP: 7.69070
• XLogP3: 9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 20
• Exact Mass: 361.28715720
• Heavy Atom Count: 24
• Complexity: 235

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCO[P+](=O)OCCCCCCCCCC

Technology Process of Didecyl phosphonate

There total 5 articles about Didecyl phosphonate 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: 90.0%

1-Decanol (112-30-1) + 3'-azido-2',3'-deoxythymidine (30516-87-1,399024-19-2) → didecyl hydrogen phosphite (7000-66-0) + C20H34N5O6P

Guidance literature:

3'-azido-2',3'-deoxythymidine; With pyridine; diphenyl phosphite; at 0 ℃; for 0.25h;

1-Decanol; With pyridine; at 20 ℃; for 2h;

Reference yield: 82.0%

1-Decanol (112-30-1) + phosphonic acid diethyl ester (762-04-9) → didecyl hydrogen phosphite (7000-66-0)

Guidance literature:

With sodium; for 2h; Heating;

DOI:10.1080/00397911.2020.1799015

Reference yield:

1-Decanol (112-30-1) → didecyl hydrogen phosphite (7000-66-0)

Guidance literature:

With phosphorus trichloride;

upstream raw materials:

1-Decanol

phosphonic acid diethyl ester

3'-azido-2',3'-deoxythymidine

C₁₆H₁₈N₅O₆P

Downstream raw materials:

phosphoric acid didecyl ester

Refernces

• 1、 Aitken, R. Alan,Collett, Chris J.,Mesher, Shaun T. E.. "Convenient preparation of long-chain dialkyl phosphates: Synthesis of dialkyl phosphates". scheme or table. p. 2515 - 2518. Retrieved 2012/09/05.
• 2、 Xiao, Qiang,Sun, Jing,Ju, Yong,Zhao, Yu-Fen,Cui, Yu-Xin. "Novel approach to the synthesis of AZT 5′-O-hydrogen phospholipids". . p. 5281 - 5283. Retrieved 2007/10/03.