4,6-Bis(diphenylphosphino)phenoxazine
Product Information
Molecular Formula
C36H27NOP2
Molecular Weight
551.55
Description
N-XantPhos is a deprotonatable chelating aryldiphosphine ligand that can be used in: The preparation of Pd-NiXantphos catalyst system for the room temperature cross-coupling reactions of unactivated aryl chlorides; The synthesis of cinchonine iridium(III) cyclometalated complex that exhibits luminescence and good quantum efficiency; N-XantPhos and N-modified counterparts are also used in the preparation of rhodium based catalysts for hydroformylation reaction.
Synonyms
(6-diphenylphosphino-10H-phenoxazin-4-yl)-diphenylphosphine; (6-diphenylphosphanyl-10H-phenoxazin-4-yl)-diphenylphosphane
IUPAC Name
(6-diphenylphosphanyl-10H-phenoxazin-4-yl)-diphenylphosphane
SMILES
C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC4=C3OC5=C(N4)C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C36H27NOP2/c1-5-15-27(16-6-1)39(28-17-7-2-8-18-28)33-25-13-23-31-35(33)38-36-32(37-31)24-14-26-34(36)40(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-26,37H
InChI Key
HSWZLYXRAOXOLL-UHFFFAOYSA-N
Boiling Point
662.1 °C at 760 mmHg
Melting Point
256-262 °C
Flash Point
Not applicable
Purity
97 %
Appearance
Solid
LogP
7.19030
Safety Information
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
XLogP3
8.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
6
Exact Mass
551.15678848 g/mol
Monoisotopic Mass
551.15678848 g/mol
Topological Polar Surface Area
21.3Ų
Heavy Atom Count
40
Formal Charge
0
Complexity
671
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113788748-A | Method for preparing straight-chain carbonyl compound by catalyzing unsaturated hydrocarbon with multidentate phosphine ligand modified palladium combined catalyst | 2021-09-15 |
| CN-114181250-A | Alkenyl phosphine compound and preparation method thereof | 2020-09-15 |
| WO-2022049036-A2 | Process for preparing 3-(cyclohex-1-en-1-yl)propanal derivatives | 2020-09-01 |
| WO-2022002178-A1 | Methods for synthesizing n-(phenylsulfonyl)benzamide compounds and intermediates thereof | 2020-07-01 |
| CN-111620768-A | Method for synthesizing aryl ketone compound by using AQ as photocatalyst | 2020-06-16 |
| CN-111646875-A | Method for synthesizing aryl ketone compound by taking TBADT as photocatalyst | 2020-06-16 |
| CN-113713862-A | Co-based multi-phase catalyst for olefin hydroformylation reaction, preparation and application thereof | 2020-05-26 |
| US-2021299100-A1 | Biaryl derivatives as yap/taz-tead protein-protein interaction inhibitors | 2020-03-16 |
| WO-2021186324-A1 | Biaryl derivatives as yap/taz-tead protein-protein interaction inhibitors | 2020-03-16 |
| WO-2021126728-A1 | Prmt5 inhibitors | 2019-12-17 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 18288796 | 2008-03-17 | Solvent-assisted spontaneous resolution of a 16-membered ring containing gold(I) showing short Au...Au aurophilic interaction and a figure-eight conformation | Inorganic chemistry |
| 21202102 | 2008-03-14 | 4,6-Bis(diphenyl-phosphino)phenoxazine (nixantphos) | Acta crystallographica. Section E, Structure reports online |
