2,8,9-Triisobutyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane

Base Information

• Chemical Name: 2,8,9-Triisobutyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane
• CAS No.: 331465-71-5
• Molecular Formula: C18H39 N4 P
• Molecular Weight: 343.5102
• Hs Code.: 29310099
• European Community (EC) Number: 812-117-1
• UNII: X79X7GNS8K
• DSSTox Substance ID: DTXSID90404376
• Nikkaji Number: J1.408.778H
• Wikidata: Q72513592
• Mol file: 331465-71-5.mol

Synonyms:331465-71-5;2,8,9-Triisobutyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane;Triisobutylphosphatrane;Triisobutylazaphosphatrane;Triisobutylproazaphosphatrane;X79X7GNS8K;2,8,9-tris(2-methylpropyl)-2,5,8,9-tetraza-1-phosphabicyclo[3.3.3]undecane;Triisobutyl-verkade's superbase [MI];2,8,9-Triisobutyl-2,5,8,9-tetraaza-1-phosphabicyclo(3.3.3)undecane;2,8,9-tri-i-butyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane;2,5,8,9-Tetraaza-1-phosphabicyclo(3.3.3)undecane, 2,8,9-tris(2-methylpropyl)-;2,8,9-Tris(2-methylpropyl)-2,5,8,9-tetraaza-1-phosphabicyclo(3.3.3)undecane;2,8,9-Tris(2-methylpropyl)-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane;4,6,11-Tris(2-methylpropyl)-1,4,6,11-tetraza-5-phosphabicyclo(3.3.3)undecane;MFCD03840347;UNII-X79X7GNS8K;SCHEMBL139612;DTXSID90404376;WFHPXSHLCFHEIA-UHFFFAOYSA-N;AKOS015912887;AS-72150;CS-0106668;E79064;2,8,9-Tri-i-butyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3] undecane;2,8,9-triisobutyl -2,5,8,9-tetraaza-1-phospha-bicyclo[3.3.3]undecane;2,8,9-triisobutyl-2,5,8,9-tetraaza-1-phospha-bicyclo[3.3.3]undecane;2,8,9-triisobutyl-2,5,8,9-tetraaza-1-phosphabicyclo-[3.3.3]undecane;2,8,9-triisobutyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3] undecane;2,8,9-Triisobutyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane, 97%

Chemical Property of 2,8,9-Triisobutyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane

Chemical Property:

• Appearance/Colour: COLORLESS TO YELLOW LIQUID
• Vapor Pressure: 1.59E-06mmHg at 25°C
• Refractive Index: n20/D 1.5020(lit.)
• Boiling Point: 397.4 °C at 760 mmHg
• PKA: 8.90±0.20(Predicted)
• Flash Point: 194.1 °C
• PSA: 26.55000
• Density: g/cm³
• LogP: 3.16810
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: air sensitive, moisture sensitiv
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 342.29123426
• Heavy Atom Count: 23
• Complexity: 296

Purity/Quality:

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

2,8,9-Tri-i-butyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane, 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xn
• Hazard Codes: F,Xn
• Statements: 36/37/38-67-66-22-19-11
• Safety Statements: 26-36/37/39-16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)CN1CCN2CCN(P1N(CC2)CC(C)C)CC(C)C
• Uses: Exceedingly strong, non-ionic Br?nsted and Lewis base useful in a variety of organic transformations. Triisobutylazaphosphatrane is reported to be used as a catalyst for the preparation of biaryl and alkenylarenes via Stille cross-coupling reaction. It also acts a catalyst for the synthesis of α-aryl-substituted nitriles.