65420-68-0

Basic information

• Product Name: 1,5-BIS(DI-T-BUTYLPHOSPHINO)PENTANE
• Synonyms: 1,5-BIS(DI-T-BUTYLPHOSPHINO)PENTANE;BIS(DI-TERT-BUTYLPHOSPHINO)PENTANE;1,5-BIS-(DI-TERT-BUTYLPHOSPHINO)PENTANE;1,5-Bis(di-t-butylphosphino)pentane,min.97%;1,5-Bis(di-t-butylphosphino)pentane, min. 97%;97% (t-Bu)2P(CH2)5P(t-Bu)2;1,5-Bis(di-t-butylphosphino)pentane,97% (t-Bu)2P(CH2)5P(t-Bu)2
• CAS NO: 65420-68-0
• Molecular Formula: C₂₁H₄₆P₂
• Molecular Weight: 360.54
• Product Categories: organophosphine ligand;Achiral Phosphine;Alkyl Phosphine
• Mol File: 65420-68-0.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 409.3±28.0 °C(Predicted)
• Appearance: colorless, viscous/liquid
• Sensitive: air sensitive
• CAS DataBase Reference: 1,5-BIS(DI-T-BUTYLPHOSPHINO)PENTANE(CAS DataBase Reference)
• NIST Chemistry Reference: 1,5-BIS(DI-T-BUTYLPHOSPHINO)PENTANE(65420-68-0)
• EPA Substance Registry System: 1,5-BIS(DI-T-BUTYLPHOSPHINO)PENTANE(65420-68-0)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 65420-68-0(Hazardous Substances Data)

Usage

Uses

Ligand used in the preparation of an iridium compound capable of oxidatively adding ammonia to form a stable, monomeric amido hydride complex.

InChI:InChI=1S/C21H46P2/c1-18(2,3)22(19(4,5)6)16-14-13-15-17-23(20(7,8)9)21(10,11)12/h13-17H2,1-12H3

Upstream product

• 111-24-0 1,5-dibromo-pentane 
• 819-19-2 di-tert-butylphosphine 

Downstream Products

• 81817-92-7 [RhH(CO)(((CH₃)3C)2PCH₂CH₂CHCH₂CH₂P(C(CH₃)3)2)]⁽¹⁺⁾*[B(C₆H₅)4]^(1-) 
• 81954-20-3 [Rh₂Cl₂(CO)2(((CH₃)3C)2P(CH₂)5P(C(CH₃)3)2)2] 

Relevant articles and documents

Isolation and X-ray structures of four Rh(PCP) complexes including a Rh(I) dioxygen complex with a short O-O bond

The reaction of RhCl3·H2O with tBu2P(CH2)5PtBu 2 afforded several complexes including [RhIII(H)Cl{ tBu2- P(CH2)2CH(CH2) 2PtBu2}] (1), [RhIIIHCl 2{tBu2P(CH2)5P tBu2}]2 (2), [RhICl{ tBu2P(CH2)2CH=CHCH2P tBu2}] (3) and [RhICl{tBu 2PCH2C(O)CH=CHCH2PtBu2}] (4). X-ray crystal structures of 3 and 4 showed that the C=C bond on the C 5 unit of tBu2P(CH2) 5PtBu2 is bound to Rh(I) in a η2 configuration. In 4, the Rh atom has a trigonal pyramidal coordination geometry. The X-ray crystal structure of 2 consists of two rhodium( III) centers bridged by two tBu2P(CH2)5P tBu2 ligands with two phosphorus atoms, one from each ligand, trans to one another. The crystal structure of the rhodium oxygen adduct with 1,3-bis(di-t-butylphosphinomethyl) benzene [RhO2{ tBu2PCH2(C6H3)CH 2PtBu2}] (5) was also investigated. In this species the O2 is η2 coordinated to the Rh(I) center with asymmetric Rh-O bond lengths (2.087(7) and 1.998(8) A?). The O-O bond distance is short (1.337(11) A?) with νO-O of 990.5 cm -1. DFT calculations on complex 5 yielded two η2- O2 structures that differed in energy by only 0.76 kcal/mol. The lower energy one (5a) had near C2 symmetry, and had nearly equal Rh-O bond lengths, while the higher energy structure (5b) had near Cs symmetry and generally good agreement with the experimental structure. The calculated UV-Vis and IR spectra of complex 5 are in excellent agreement with experiment.