4,6-Bis(diphenylphosphino)phenoxazine - CAS 261733-18-0
Catalog: |
BB019165 |
Product Name: |
4,6-Bis(diphenylphosphino)phenoxazine |
CAS: |
261733-18-0 |
Synonyms: |
(6-diphenylphosphino-10H-phenoxazin-4-yl)-diphenylphosphine; (6-diphenylphosphanyl-10H-phenoxazin-4-yl)-diphenylphosphane |
IUPAC Name: | (6-diphenylphosphanyl-10H-phenoxazin-4-yl)-diphenylphosphane |
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. |
Molecular Weight: | 551.55 |
Molecular Formula: | C36H27NOP2 |
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 |
MDL: | MFCD0378897 |
LogP: | 7.19030 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
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 |
Publication Number | Title | Priority Date |
CN-111620768-A | Method for synthesizing aryl ketone compound by using AQ as photocatalyst | 20200616 |
CN-111646875-A | Method for synthesizing aryl ketone compound by taking TBADT as photocatalyst | 20200616 |
US-2021299100-A1 | Biaryl derivatives as yap/taz-tead protein-protein interaction inhibitors | 20200316 |
WO-2021186324-A1 | Biaryl derivatives as yap/taz-tead protein-protein interaction inhibitors | 20200316 |
WO-2021126728-A1 | Prmt5 inhibitors | 20191217 |
PMID | Publication Date | Title | Journal |
32726870 | 20200901 | Radiosynthesis of a Bruton's tyrosine kinase inhibitor, [11 C]Tolebrutinib, via palladium-NiXantphos-mediated carbonylation | Journal of labelled compounds & radiopharmaceuticals |
21202266 | 20080402 | Substitutional disorder in the substituted nixantphos ligand C(39)H(32)Br(0.27)Cl(0.73)NOP(2) | Acta crystallographica. Section E, Structure reports online |
18288796 | 20080317 | 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 | 20080314 | 4,6-Bis(diphenyl-phosphino)phenoxazine (nixantphos) | Acta crystallographica. Section E, Structure reports online |
Complexity: | 671 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 551.15678848 |
Formal Charge: | 0 |
Heavy Atom Count: | 40 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 551.15678848 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 21.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 8.4 |
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