565881

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

97%

• Synonym(s): Triisobutylphosphatrane
• Empirical Formula (Hill Notation): C₁₈H₃₉N₄P
• CAS Number: 331465-71-5
• Molecular Weight: 342.50
• MDL number: MFCD03840347
• UNSPSC Code: 12352005
• PubChem Substance ID: 24880262
• NACRES: NA.22

Properties

• Quality Level: 200
• assay: 97%
• refractive index: n20/D 1.5020 (lit.)
• density: 0.964 g/mL at 25 °C (lit.)
• SMILES string: CC(C)CN1CCN2CCN(CC(C)C)P1N(CC2)CC(C)C
• InChI: 1S/C18H39N4P/c1-16(2)13-20-10-7-19-8-11-21(14-17(3)4)23(20)22(12-9-19)15-18(5)6/h16-18H,7-15H2,1-6H3
• InChI key: WFHPXSHLCFHEIA-UHFFFAOYSA-N

Description

Application

Ligand used in the α-arylation of nitriles with aryl bromides and chlorides, and in the Stille cross-coupling of aryl chlorides.

Together with Pd₂(dba)₃ (Catalog Number 328774) forms a highly efficient catalyst for one-pot syntheses of trans-4-N,N-diarylaminostilbenes and N,N-diarylaminostyrenes. Catalyst for methanolic cleavage of heteroaromatic carbamates.

Safety Information

• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 154.9 °F - closed cup
• flash_point_c: 68.3 °C - closed cup
• ppe: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)