(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine)

• Catalog Number: ACM161265038
• Product Name: (9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine)
• CAS: 161265-03-8
• Category: Organic Phosphine Compounds
• Synonyms: TRA0068476; Xanthene, 4,5-bis(diphenylphosphino)-9,9-dimethyl-; 4,5-bis(diphenylphosphino)-9,9-dimethlxanthene; FT-0645040; 9,9-dimethyl-4,5-bis(diphenylphosphino)-9H-xanthene; BP-12287; 30244-EP2280001A1; Y-200029; KSC485M5J; 9,9-dimethyl-4,5-bis(diphenyl phosphino)xanthene
• IUPAC Name: (5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane
• Molecular Weight: 578.632g/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: Ligand used for the hydroformylation of alkenes.; ; Ligand used in the intermolecular coupling of amides and hydrazones with aryl halides.; ; Ligand used in the intermolecular coupling of amides with aryl halides or triflates.; ; Ligand used in the coupling of heteroarylamines and aryl halides.; ; Ligand used in the hydrophosphinylation of alkenes and alkynes.; ; Ligand used for the Au(I)-catalyzed dehydrogenative silation of alcohols.; ; Ligand used for the sulfinylation of aryl iodides.; ; Ligand used for the Pd-catalyzed carbonylation reaction of aryl bromides and amines.; ; Ligand used for the Ni-cataltzed alkynylcyanation of alkynes.; ; Ligand used for the Pd-catalyzed N-arylation of 3-amino-1H-pyrazole.; ; Ligand used for the Rh-catalyzed dehydrogenation borylation of cyclic alkenes.; ; Ligand used for the Pd-catalyzed intermolecular coupling of H-Phosphonate diesters with benzyl halides.; ; Ligand used for the Pd-catalyzed one pot synthesis of 4-aryl-1H-1,2,3-triazoles.; ; Ligand used for the Pd-catalyzed intermolecular addition of formamides to alkynes.; ; Ligand used for the Pd-catalyzed decarboxylative couplings of 2-(2-azaaryl)acetates with aryl halides and triflates.; ; Ligand used for the Pd-catalyzed benzylic arylation of 2-methyl azaarenes; ; Ligand used for the Pd-catalyzed α-arylation of heteroaromatic ketones.; ; Ligand used for the Pd-catalyzed direct alkynlation of both azoles and azolines.; ; Ligand used for the Cu-catalyzed intermolecular coupling of alkynes with aryl iodides.; ; Ligand used for the Pd-catalyzed ene-type reaction of aldehydes with 1,3-diene.; ; Ligand used for the Ru-catalyzed intermolecular addition of 2-phenylbenzoic acid onto unactivated olefins.; ; Ligand used for the Pd/Cu-catalyzed direct arylation of heteroarenes.; ; Ligand used for the Pd-catalyzed reaction of propargyl-substituted malonate esters with aryl halides.; ; Ligand used for the Pd-catalyzed decarboxylative coupling of tertiary cyanoacetate salts with aryl halides and triflates.; ; Ligand used for the Pd-catalyzed hydroesterification of alkynes.; ; Ligand used for the Cu-catalyzed arylation of arylboronic acids with aldehydes.; ; Ligand used for the Ru-catalyzed oxidative synthesis of heterocycles from alcohols.; ; Ligand used for the Rh-catalyzed borylation of nitriles.; ; Ligand used in the Pd-catalyzed α-arylation of benzylic phosphine oxides.; ; Ligand used in the Pd-Catalyzed Oxidative Coupling of Enamides and Alkynes.; ; Ligand used in the Pd-catalyzed difunctionalization of enol ethers to amino acetals with aminals and alcohols.; ; Ligand used in the Pd-catalyzed alkoxycarbonylation of α-chloroketones.
• Storage: Room temperature.
• Complexity: 731
• Covalently-Bonded Unit Count: 1
• Exact Mass: 578.193g/mol
• H-Bond Acceptor: 1
• Heavy Atom Count: 42
• Monoisotopic Mass: 578.193g/mol
• Rotatable Bond Count: 6
• Topological Polar Surface Area: 9.2A^2
• UNII: NMU72MOG9B

Custom Q&A

What is the molecular formula of (9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine)?

The molecular formula is C39H32OP2.

What is the molecular weight of (9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine)?

The molecular weight is 578.6 g/mol.

What is the IUPAC Name of the compound?

The IUPAC Name is (5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane.

What is the InChI of the compound?

The InChI is 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.

What is the InChIKey of the compound?

The InChIKey is CXNIUSPIQKWYAI-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES is 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).

What is the CAS number of the compound?

The CAS number is 161265-03-8.

What is the European Community (EC) number of the compound?

The European Community (EC) number is 605-249-4.

What is the UNII of the compound?

The UNII is NMU72MOG9B.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 9.7.