646069-74-1

Basic information

• Product Name: Phosphinous acid, bis(1-methylethyl)-, 3-[[bis(1,1-dimethylethyl)phosphino]methyl]phenyl ester
• CAS NO: 646069-74-1
• Molecular Formula: C21H38OP2
• Molecular Weight: 368.48
• Mol File: 646069-74-1.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: Phosphinous acid, bis(1-methylethyl)-, 3-[[bis(1,1-dimethylethyl)phosphino]methyl]phenyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Phosphinous acid, bis(1-methylethyl)-, 3-[[bis(1,1-dimethylethyl)phosphino]methyl]phenyl ester(646069-74-1)
• EPA Substance Registry System: Phosphinous acid, bis(1-methylethyl)-, 3-[[bis(1,1-dimethylethyl)phosphino]methyl]phenyl ester(646069-74-1)

Safety Data

• Hazardous Substances Data: 646069-74-1(Hazardous Substances Data)

Upstream product

• 74597-04-9 m-hydroxybenzyl bromide 
• 620-24-6 3-Hydroxybenzyl alcohol 
• 40244-90-4 Chlorodiisopropylphosphane 
• 646069-73-0 (3-hydroxybenzyl)di-tert-butylphosphine 

Relevant articles and documents

Rational design of highly active "hybrid" phosphine-phosphinite pincer iridium catalysts for alkane metathesis

Both the bisphosphine and bisphosphinite pincer complexes ( tBu4PCP)IrH2 and (tBu4POCOP)IrH2 can cocatalyze alkane metathesis in tandem with olefin metathesis catalysts, but the two complexes have different resting states during catalysis, suggesting that different steps are turnover-limiting in each case. This led to the hypothesis that a complex with intermediate properties would be catalytically more active than either of these two species. Accordingly, "hybrid" phosphine-phosphinite pincer ligands (PCOP) and the corresponding iridium complexes were synthesized (3c-e). In tandem with olefin-metathesis catalyst MoF12, (tBu4PCOP)IrH2 displays significantly higher activity for the metathesis of n-hexane than does (tBu4PCP)IrH 2 or (tBu4POCOP)IrH2. (tBu2PCOP iPr2)IrH4 (3d) is even more active (>30-fold more active than (tBu4POCOP)IrH2) and affords nearly 4.6 M alkane products after 8 h at 125 C.