(Oxybis(2,1-phenylene))bis(diphenylphosphine)

• CAS: 166330-10-5
• Catalog Number: ACM166330105
• Category: Other Phosphine Ligands
• Molecular Weight: 538.57
• Molecular Formula: C36H28OP2
• IUPAC Name: [2-(2-Diphenylphosphanylphenoxy)phenyl]-diphenylphosphane
• SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3OC4=CC=CC=C4P(C5=CC=CC=C5)C6=CC=CC=C6
• InChI: InChI=1S/C36H28OP2/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28H
• InChI Key: RYXZOQOZERSHHQ-UHFFFAOYSA-N
• Application: Useful as a ligand in the Pd-catalyzed formation of diaryl amines.; Has been recently applied to the C3 benzylation of indoles.; Has been recently applied to the monoallylation of ammonia.; Ligand used in the palladium-catalyzed, aerobic oxidation coupling of acyl chlorides with arylboronic acids.; Ligand used in carbonylation of aryl iodides.; Ligand used in the direct C-H arylation of benzothiodiazoles.; Ligand used in stereo-retentive azacyclization of propargylic carbonates.; Ligand used in palladium catalyzed benzyne trimerization.
• Complexity: 594
• Covalently-Bonded Unit Count: 1
• Exact Mass: 538.162g/mol
• H-Bond Acceptor: 1
• Heavy Atom Count: 39
• Monoisotopic Mass: 538.162g/mol
• Rotatable Bond Count: 8
• Topological Polar Surface Area: 9.2A^2

Custom Q&A

What is the molecular formula of (Oxybis(2,1-phenylene))bis(diphenylphosphine)?

The molecular formula is C36H28OP2.

What is the molecular weight of (Oxybis(2,1-phenylene))bis(diphenylphosphine)?

The molecular weight is 538.6 g/mol.

What is the IUPAC name of (Oxybis(2,1-phenylene))bis(diphenylphosphine)?

The IUPAC name is [2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane.

What is the InChI key of (Oxybis(2,1-phenylene))bis(diphenylphosphine)?

The InChI key is RYXZOQOZERSHHQ-UHFFFAOYSA-N.

What is the canonical SMILES notation for (Oxybis(2,1-phenylene))bis(diphenylphosphine)?

The canonical SMILES notation is C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3OC4=CC=CC=C4P(C5=CC=CC=C5)C6=CC=CC=C6.

What is the CAS number for (Oxybis(2,1-phenylene))bis(diphenylphosphine)?

The CAS number is 166330-10-5.

What is the molecular weight of (Oxybis(2,1-phenylene))bis(diphenylphosphine) according to PubChem?

The molecular weight is 538.6 g/mol.

How many hydrogen bond donor counts are there in (Oxybis(2,1-phenylene))bis(diphenylphosphine)?

There are 0 hydrogen bond donors.

How many rotatable bond counts are there in (Oxybis(2,1-phenylene))bis(diphenylphosphine)?

There are 8 rotatable bonds.

What is the topological polar surface area of (Oxybis(2,1-phenylene))bis(diphenylphosphine)?

The topological polar surface area is 9.2Ų.