4,6-Bis(diphenylphosphino)phenoxazine

Inquiry

Molecular Formula:

C36H27NOP2

Molecular Weight:

551.55

CAS Number:

261733-18-0

Catalog Number:

261733-18-0

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

Canonical 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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

551.15678848 g/mol

Monoisotopic Mass

551.15678848 g/mol

Topological Polar Surface Area

21.3Å²

Heavy Atom Count

Formal Charge

Complexity

671

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

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