31502-36-0

Basic information

• Product Name: Phenol, 2-(1,1-dimethylethyl)-, phosphite
• CAS NO: 31502-36-0
• Molecular Formula: C30H39O3P
• Molecular Weight: 478.612
• Mol File: 31502-36-0.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: Phenol, 2-(1,1-dimethylethyl)-, phosphite(CAS DataBase Reference)
• NIST Chemistry Reference: Phenol, 2-(1,1-dimethylethyl)-, phosphite(31502-36-0)
• EPA Substance Registry System: Phenol, 2-(1,1-dimethylethyl)-, phosphite(31502-36-0)

Safety Data

• Hazardous Substances Data: 31502-36-0(Hazardous Substances Data)

Upstream product

• 88-18-6 2-tert-Butylphenol 

Downstream Products

• 208585-08-4 trans-[RhCl(CO)(P(O-o-tBuC₆H₄)3)2] 
• 181486-20-4 Ir(C₈H₁₂)(P(OC₆H₃C(CH₃)3)2OC₆H₄C(CH₃)3)(H) 
• 176717-89-8 [Pt(C₂H₄)(P(C₆H₅)3)(P(OC₆H₄(C₄H₉))3)] 
• 176717-88-7 [Pt(P(C₆H₅)3)2(P(OC₆H₄(C₄H₉))3)] 
• 1271-19-8 bis(cyclopentadienyl)titanium dichloride 
• 4526-07-2 1,4-bis(trimethylsilyl)-1,3-butadiyne 
• 459132-85-5 Ni(CO)2(P(OC₆H₄C(CH₃)3)3)2 
• 17787-26-7 cis-[PdCl₂(P(OMe)3)2] 
• 882739-04-0 trans-[PdCl₂(P(OC₆H₄-2-tBu)3)2] 
• 199445-77-7 di(tris(ortho-tert-butylphenyl)phosphite)-di(μ-tert-butyl-thiolato)-bis(carbonylrhodium) 
• 176442-35-6 [Rh₂(CO)3(P(OC₆H₄C₄H₉)3)(C₂₀H₁₂S₂)]2 
• 162660-76-6 trans-[Rh2(μ-S(CH2)4S)(CO)2(tris(2-t-butylphenyl) phosphite)2]2 
• 162660-74-4 [Rh2(μ-S(CH2)2S)(CO)2(tris(2-t-butylphenyl) phosphite)2] 
• 143192-20-5 RhCl(CO)(P((OC(CH₃)3)C₆H₄)3)2 

Relevant articles and documents

A mechanistic study of rhodium tri(o-t-butylphenyl)phosphite complexes as hydroformylation catalysts

A mechanistic study of the hydroformylation cycle with a rhodium tri(o-t-butylphenyl)phosphite complex as catalyst is presented.Spectroscopic experiments prove that under hydroformylation conditions this complex is coordinated by only one phosphite.The co

On the mechanism of the nickel-catalysed regioselective cyclodimerization of isoprene

A study of various Ni-ligand catalysed oligomerizations of isoprene has shown that with π-acidic P ligands the selectivity to cyclodimers amount to 97%. A new type of ligand is introduced, viz. fluoroalkyl phosphites having π-acceptor properties comparable to those of, e.g. PCl3. With tris(hexafluoroisopropyl) phosphite the main product is 1,4-dimethy1-4-vinylcyclohexene. A detailed explanation based on a two-step mechanism is given. As to the first step, for a series of ligands having similar steric properties the changes in product distribution as a function of the electronic ligand parameter are explained in terms of a gradual change in HOMO-LUMO interactions between Ni and the olefins, with strong π-acidic ligands promoting the head-to-head coupling of the isoprene molecules. The second step, involving reductive elimination of a cyclodimer from the metal, shows an increasing selectivity towards substituted cyclohexenes for the head-to-head and tail-to-tail intermediates with increasing π-acidity of the ligand. The qualitative orbital treatment presented as an explanation is also applicable to reactions found for other metallacyclopentanes.