2-(Di-tert-butylphosphino)biphenyl

• CAS: 224311-51-7
• Catalog Number: ACM224311517-1
• Category: Organic Phosphine Compounds
• Molecular Weight: 298.40
• Molecular Formula: C20H27P
• Synonyms: (2-Biphenylyl)-Di-Tert-Butylphosphine
• IUPAC Name: ditert-butyl-(2-phenylphenyl)phosphane
• Canonical SMILES: CC(C)(C)P(C1=CC=CC=C1C2=CC=CC=C2)C(C)(C)C
• InChI: CNXMDTWQWLGCPE-UHFFFAOYSA-N
• InChI Key: InChI=1S/C20H27P/c1-19(2,3)21(20(4,5)6)18-15-11-10-14-17(18)16-12-8-7-9-13-16/h7-15H,1-6H3
• Boiling Point: 405.5±24.0 °C(Predicted)
• Melting Point: 86-88 °C (lit.)
• Density: 1 g/cm3
• Appearance: Solid
• Application: Ligand used in the palladium-catalyzed synthesis of aromatic amines from aryl chlorides, bromides and triflates.; ; Ligand employed in a very active and general catalyst for Suzuki coupling reactions using aryl chlorides, bromides and triflates.; ; Ligand used in palladium-catalyzed synthesis of oxindoles from α-chloroacetanilides.; ; Effective ligand used in palladium-catalyzed arylation of thiazoles.; ; Used in the formation of 2-benzylindolines via sequential palladium-catalyzed N-arylation/cyclization/C-arylation.; ; Selective in the palladium-catalyzed arylation of silyl enol ethers formed from copper-catalyzed reduction of enones.
• Complexity: 300
• Covalently-Bonded Unit Count: 1
• Exact Mass: 298.185g/mol
• Heavy Atom Count: 21
• Isomeric SMILES: CC(C)(C)P(C1=CC=CC=C1C2=CC=CC=C2)C(C)(C)C
• Monoisotopic Mass: 298.185g/mol
• Rotatable Bond Count: 4
• Topological Polar Surface Area: 0A^2
• Type: Buchwald Ligands
• UNII: 5Y743P380H

Custom Q&A

What is the IUPAC name of the chemical compound with the molecular formula C20H27P?

ditert-butyl-(2-phenylphenyl)phosphane

What is the molecular weight of the compound 2-(Di-tert-butylphosphino)biphenyl?

298.4g/mol

What is the canonical SMILES representation of 2-(Di-tert-butylphosphino)biphenyl?

CC(C)(C)P(C1=CC=CC=C1C2=CC=CC=C2)C(C)(C)C

How many heavy atoms are present in the compound?

21

What is the CAS number of 2-(Di-tert-butylphosphino)biphenyl?

224311-51-7

What is the topological polar surface area of the compound?

0

Does the compound have any defined atom stereocenter count?

0

What is the XLogP3 value of 2-(Di-tert-butylphosphino)biphenyl?

5.1

What are some of the other names or synonyms for the compound?

JohnPhos, ditert-butyl-(2-phenylphenyl)phosphane, BIPHENYL-2-YL-DI-TERT-BUTYL-PHOSPHANE, etc.

What is the InChI key of 2-(Di-tert-butylphosphino)biphenyl?

CNXMDTWQWLGCPE-UHFFFAOYSA-N