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Dimethylbisdiphenylphosphinoxanthene

Catalog Number
ACM161265038-1
CAS Number
161265-03-8
Product Name
Dimethylbisdiphenylphosphinoxanthene
Structure
Category
Organic Light-Emitting Diode (OLED) Materials
IUPAC Name
(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane
Molecular Weight
578.6g/mol
Molecular Formula
C39H32OP2
Canonical SMILES
CC1(C2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OC5=C1C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)C
InChI
InChI=1S/C39H32OP2/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32/h3-28H,1-2H3
InChI Key
CXNIUSPIQKWYAI-UHFFFAOYSA-N
Application
Dimethylbisdiphenylphosphinoxanthene is an organophosphorus compound employed as a versatile bidentate ligand, notable for its wide bite angle, which facilitates a range of catalytic reactions. Its primary use is in the hydroformylation of alkenes, but it is also an essential component in various other catalytic processes, such as cross couplings involving amides, hydrazones, and aryl halides, as well as intermolecular couplings, hydrophosphinylation of alkenes and alkynes, and dehydrogenative silylation of alcohols. Additionally, it serves in carbonylation, sulfinylation, aryltation, borylation, ene-type reactions, and oxidative synthesis, demonstrating its crucial role in numerous synthetic transformations with palladium, nickel, rhodium, ruthenium, and copper as catalysts.
Complexity
731
Covalently-Bonded Unit Count
1
EC Number
605-249-4
Exact Mass
578.19284g/mol
Formal Charge
0
Heavy Atom Count
42
MeSH Entry Terms
9,9-dimethyl-4,6-bis(diphenylphosphino)xanthene;xantphos
Monoisotopic Mass
578.19284g/mol
Rotatable Bond Count
6
UNII
NMU72MOG9B
XLogP3
9.7
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