2-(Dicyclohexylphosphino)biphenyl

• CAS: 247940-06-3
• Catalog Number: ACM247940063-2
• Category: Other Phosphine Ligands
• Molecular Weight: 350.48
• Molecular Formula: C24H31P
• Synonyms: Cyclohexyl JohnPhos
• IUPAC Name: Dicyclohexyl-(2-phenylphenyl)phosphane
• SMILES: C1CCC(CC1)P(C2CCCCC2)C3=CC=CC=C3C4=CC=CC=C4
• InChI: InChI=1S/C24H31P/c1-4-12-20(13-5-1)23-18-10-11-19-24(23)25(21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1,4-5,10-13,18-19,21-22H,2-3,6-9,14-17H2
• InChI Key: LCSNDSFWVKMJCT-UHFFFAOYSA-N
• Boiling Point: 499.5±24.0 °C (Predicted)
• Melting Point: 102-106°C (lit.)
• Appearance: Solid
• Application: Ligand used in the palladium-catalyzed synthesis of aromatic amines from aryl chlorides, bromides and triflates.; Ligand employed in Suzuki coupling reactions involving aryl chlorides, bromides and triflates.; Useful ligand for the Pd-catalyzed oxidation of alcohols in the presence of chlorobenzenes.; Useful ligand for the Pd-catalyzed amination with ammonia equivalents.; Ligand for the gold(I)-catalyzed intramolecular [4+2] cycloadditions involving 1,3-enynes and arylalkynes with alkenes.; Ligand used in the palladium-catalyzed borylation of aryl bromdies.; Ligand used in the palladium-catalyzed siliylation of aryl chlorides.
• Complexity: 356
• Covalently-Bonded Unit Count: 1
• EC Number: 480-030-2
• Exact Mass: 350.216g/mol
• Heavy Atom Count: 25
• Isomeric SMILES: C1CCC(CC1)P(C2CCCCC2)C3=CC=CC=C3C4=CC=CC=C4
• Monoisotopic Mass: 350.216g/mol
• Physical State: Solid
• Rotatable Bond Count: 4
• Topological Polar Surface Area: 0A^2

Custom Q&A

What is the molecular formula of 2-(Dicyclohexylphosphino)biphenyl?

The molecular formula of 2-(Dicyclohexylphosphino)biphenyl is C24H31P.

When was 2-(Dicyclohexylphosphino)biphenyl created in PubChem?

2-(Dicyclohexylphosphino)biphenyl was created in PubChem on July 19, 2005.

What is the molecular weight of 2-(Dicyclohexylphosphino)biphenyl?

The molecular weight of 2-(Dicyclohexylphosphino)biphenyl is 350.5 g/mol.

What is the InChIKey of 2-(Dicyclohexylphosphino)biphenyl?

The InChIKey of 2-(Dicyclohexylphosphino)biphenyl is LCSNDSFWVKMJCT-UHFFFAOYSA-N.

How many CAS numbers are associated with 2-(Dicyclohexylphosphino)biphenyl?

2-(Dicyclohexylphosphino)biphenyl has one CAS number, which is 247940-06-3.

What is the XLogP3-AA value of 2-(Dicyclohexylphosphino)biphenyl?

The XLogP3-AA value of 2-(Dicyclohexylphosphino)biphenyl is 6.7.

How many hydrogen bond donor counts does 2-(Dicyclohexylphosphino)biphenyl have?

2-(Dicyclohexylphosphino)biphenyl has 0 hydrogen bond donor counts.

What is the exact mass of 2-(Dicyclohexylphosphino)biphenyl?

The exact mass of 2-(Dicyclohexylphosphino)biphenyl is 350.216337987 g/mol.

How many rotatable bond counts does 2-(Dicyclohexylphosphino)biphenyl have?

2-(Dicyclohexylphosphino)biphenyl has 4 rotatable bond counts.

Is 2-(Dicyclohexylphosphino)biphenyl a canonicalized compound?

Yes, 2-(Dicyclohexylphosphino)biphenyl is a canonicalized compound.