4,5-Bis(diphenylphosphino)-9,9-dimethylxanthene - CAS 161265-03-8
Catalog: |
BB011720 |
Product Name: |
4,5-Bis(diphenylphosphino)-9,9-dimethylxanthene |
CAS: |
161265-03-8 |
Synonyms: |
(5-diphenylphosphino-9,9-dimethyl-4-xanthenyl)-diphenylphosphine; (5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane |
IUPAC Name: | (5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane |
Description: | Ligand used in a synthesis of heterocycles by palladium-catalyzed C-N cross coupling of 3-bromothiophenes with 2-aminopyridines. Also used in a ruthenium-catalyzed alkylation of active methylene compounds with alcohols. Metal chelating ligand for catalysis. |
Molecular Weight: | 578.62 |
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 |
Boiling Point: | 665 °C / 760 mmHg |
Melting Point: | 224-230 °C |
Flash Point: | 450 °C (C.C) |
Purity: | 97 % |
Appearance: | White to light yellow powder to crystal |
MDL: | MFCD00233866 |
LogP: | 7.63460 |
GHS Hazard Statement: | H315 (75.54%): 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 |
EP-3842100-A1 | Anti-malarial agents | 20191224 |
US-2021188829-A1 | Chemical Compounds | 20191220 |
WO-2021122249-A1 | Synthesis of n-vinyl compounds by reacting cylic nh-compounds with acetylene in presence of homogenous catalyst | 20191220 |
WO-2021123266-A1 | Anti-malarial agents | 20191220 |
WO-2021124155-A1 | Benzimidazole derivatives | 20191220 |
PMID | Publication Date | Title | Journal |
23039243 | 20121102 | Switchable palladium-catalyst reaction of bromomethyl sulfoxides, CO, and N-nucleophiles: aminocarbonylation at Csp3 versus oxidative carbonylation of amines | The Journal of organic chemistry |
22905711 | 20120907 | Room temperature, palladium-mediated P-arylation of secondary phosphine oxides | Organic letters |
22864631 | 20120828 | Hydrogenolysis of β-O-4 lignin model dimers by a ruthenium-xantphos catalyst | Dalton transactions (Cambridge, England : 2003) |
22524250 | 20120510 | Imidazolopiperazines: lead optimization of the second-generation antimalarial agents | Journal of medicinal chemistry |
22462662 | 20120418 | Intramolecular oxycyanation of alkenes by cooperative Pd/BPh3 catalysis | Journal of the American Chemical Society |
Complexity: | 731 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 578.19283964 |
Formal Charge: | 0 |
Heavy Atom Count: | 42 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 578.19283964 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 9.7 |
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