2-(Di-tert-butylphosphino)biphenyl

Catalog Number	ACM224311517-1
CAS	224311-51-7
Structure
Synonyms	(2-Biphenylyl)-Di-Tert-Butylphosphine;
IUPAC Name	ditert-butyl-(2-phenylphenyl)phosphane
Molecular Weight	298.40
Molecular Formula	C20H27P
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.)
Purity	98%
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.
Common Name	JohnPhos
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

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