2,3,5,6,7,8-Hexakis(trifluoromethyl)-1,4-diphosphabicyclo[2.2.2]octa-2,5,7-triene

Base Information

• Chemical Name: 2,3,5,6,7,8-Hexakis(trifluoromethyl)-1,4-diphosphabicyclo[2.2.2]octa-2,5,7-triene
• CAS No.: 2925-91-9
• Molecular Formula: C₁₂F₁₈P₂
• Molecular Weight: 548.051
• NSC Number: 126316
• DSSTox Substance ID: DTXSID40298808
• Wikidata: Q82040865
• Mol file: 2925-91-9.mol

Synonyms:2,3,5,6,7,8-hexakis(trifluoromethyl)-1,4-diphosphabicyclo[2.2.2]octa-2,5,7-triene;2925-91-9;NSC126316;DTXSID40298808;RILHYPRUUSGFHP-UHFFFAOYSA-N;NSC-126316

Chemical Property of 2,3,5,6,7,8-Hexakis(trifluoromethyl)-1,4-diphosphabicyclo[2.2.2]octa-2,5,7-triene

Chemical Property:

• Vapor Pressure: 20mmHg at 25°C
• Boiling Point: 118.4°C at 760 mmHg
• Flash Point: 25.4°C
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 0
• Exact Mass: 547.9187809
• Heavy Atom Count: 32
• Complexity: 702

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(P2C(=C(P1C(=C2C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F

Technology Process of 2,3,5,6,7,8-Hexakis(trifluoromethyl)-1,4-diphosphabicyclo[2.2.2]octa-2,5,7-triene

There total 7 articles about 2,3,5,6,7,8-Hexakis(trifluoromethyl)-1,4-diphosphabicyclo[2.2.2]octa-2,5,7-triene 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: 51.8%

2,3,5,6,7,8-hexakis(trifluoromethyl)-7-methoxy-1,4-diphosphabicyclo<2.2.2>octa-2,5-diene (62218-18-2,72875-10-6) + hexafluoro-2-butyne (692-50-2) → 2,3,5,6,7,8-hexakis(trifluoromethyl)-1,4-diphosphabicyclo<2.2.2>octa-2,5,7-triene (2925-91-9)

Guidance literature:

In pentane; at 90 - 95 ℃; for 14h;

DOI:10.1021/ja00521a039

Reference yield: 45.0%

phosphorous + hexafluoro-2-butyne (692-50-2) → 2,3,5,6,7,8-hexakis(trifluoromethyl)-1,4-diphosphabicyclo<2.2.2>octa-2,5,7-triene (2925-91-9)

Guidance literature:

With iodine; 200°C, 5 h, in presence of traces of iodine in autoclave; distn. (90°C, 10 torr), removing of I2 by shaking with Hg, recrystn. from CH3COOH, sublimation (100°C, 1 Torr);

DOI:10.1021/ja01491a072

Reference yield:

hexafluoro-2-butyne (692-50-2) + 2,3,5,6-tetrakis(trifluoromethyl)-1,4-diphosphabenzene (62218-19-3) → 2,3,5,6,7,8-hexakis(trifluoromethyl)-1,4-diphosphabicyclo<2.2.2>octa-2,5,7-triene (2925-91-9)

Guidance literature:

In pentane; in a sealed stainless-steel tube at 90-95°C for 14 h;

DOI:10.1021/ja00521a039

upstream raw materials:

2,3,5,6,7,8-hexakis(trifluoromethyl)-7-methoxy-7,8-dihydro-1,4-diphosphabarrelene

2,3,5,6,7,8-hexakis(trifluoromethyl)-7-methoxy-1,4-diphosphabicyclo<2.2.2>octa-2,5-diene

hexafluoro-2-butyne

2,3-diiodo-hexafluoro-2-butene

Downstream raw materials:

1,2-dimethyl-4,5-bis(trifluoromethyl)-1,4-cyclohexadiene

1-phenyl-4,5-bis(trifluoromethyl)-1,2,3-triazole

3,4-Bis-(trifluormethyl)-pyrazol

9-phenyl-1,3,4,6-tetrakis(trifluoromethyl)-2,5-diphospha-7,8,9-triazatetracyclo<4.3.0.0^2,4.0^3,5>non-7-ene

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