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

• Catalog Number: ACM166330105
• Product Name: (Oxybis(2,1-phenylene))bis(diphenylphosphine)
• CAS: 166330-10-5
• Category: Organic Phosphine Compounds
• IUPAC Name: [2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane
• Molecular Weight: 538.567g/mol
• Molecular Formula: C36H28OP2
• Canonical 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.

When was this compound created and when was it last modified?

It was created on 2005-09-14 and last modified on 2023-12-30.

What is the IUPAC Name of this compound?

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

What is the InChIKey of this compound?

The InChIKey is RYXZOQOZERSHHQ-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts does this compound have?

It has 1 hydrogen bond acceptor count.

What is the XLogP3-AA value of this compound?

The XLogP3-AA value is 8.8.

What is the molecular weight of this compound?

The molecular weight is 538.6 g/mol.

How many rotatable bond counts does this compound have?

It has 8 rotatable bond counts.

What is the topological polar surface area of this compound?

The topological polar surface area is 9.2 Ų.

How many covalently-bonded unit counts does this compound have?

It has 1 covalently-bonded unit count.