2,2,4,4,6,6-Hexahydro-2,2,4,4,6,6-hexapropoxy-1,2,3,4,5,6-triazatriphosphorine

Base Information

• Chemical Name: 2,2,4,4,6,6-Hexahydro-2,2,4,4,6,6-hexapropoxy-1,2,3,4,5,6-triazatriphosphorine
• CAS No.: 5116-77-8
• Molecular Formula: C18H42 N3 O6 P3
• Molecular Weight: 489.469
• European Community (EC) Number: 225-849-6
• DSSTox Substance ID: DTXSID90965432
• Nikkaji Number: J203.310K
• Wikidata: Q82947626
• Mol file: 5116-77-8.mol

Synonyms:5116-77-8;2,2,4,4,6,6-Hexahydro-2,2,4,4,6,6-hexapropoxy-1,2,3,4,5,6-triazatriphosphorine;2,2,4,4,6,6-hexapropoxy-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene;EINECS 225-849-6;hexapropoxycyclotriphosphazene;SCHEMBL17194218;DTXSID90965432;2,2,4,4,6,6-Hexahydro-2,2,4,4,6,6-hexapropoxy-1,3,5,2,4,6-triazatriphosphorine

Chemical Property of 2,2,4,4,6,6-Hexahydro-2,2,4,4,6,6-hexapropoxy-1,2,3,4,5,6-triazatriphosphorine

Chemical Property:

• Boiling Point: 140 - 145 °C (0.006 mmHg)
• PSA: 121.89000
• Density: 1.21g/cm³
• LogP: 6.70500
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 18
• Exact Mass: 489.22864706
• Heavy Atom Count: 30
• Complexity: 484

Purity/Quality:

98%Min ^*data from raw suppliers

PHOSPHONITRILIC CHLORIDE-N-PROPYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOP1(=NP(=NP(=N1)(OCCC)OCCC)(OCCC)OCCC)OCCC

Technology Process of 2,2,4,4,6,6-Hexahydro-2,2,4,4,6,6-hexapropoxy-1,2,3,4,5,6-triazatriphosphorine

There total 4 articles about 2,2,4,4,6,6-Hexahydro-2,2,4,4,6,6-hexapropoxy-1,2,3,4,5,6-triazatriphosphorine 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: 84.1%

propan-1-ol (71-23-8) → hexapropoxycyclotriphosphazene (5116-77-8)

Guidance literature:

With 2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine; sodium hydride; In mineral oil; butan-1-ol; at 10 - 100 ℃; Inert atmosphere;

Reference yield:

propan-1-ol (71-23-8) + 2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine (940-71-6,16422-79-0) → hexapropoxycyclotriphosphazene (5116-77-8)

Guidance literature:

With pyridine;

DOI:10.1039/jr9640001735

Reference yield:

2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine (940-71-6,16422-79-0) + sodium n-propoxide (6819-41-6) → hexapropoxycyclotriphosphazene (5116-77-8)

Guidance literature:

With propan-1-ol; xylene;

upstream raw materials:

propan-1-ol

2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine

sodium n-propoxide

Refernces

• 1、 -. "Phosphazene compound, composite containing phosphazene compound, flame retardant containing composite and application". Paragraph 0344-0345; 0348; 0352. . Retrieved 2019/01/23.