2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl

Catalog Number	ACM564483187-1
CAS	564483-18-7
Structure
Synonyms	Dicyclohexyl(2',4',6'-Triisopropylbiphenyl-2-Yl)Phosphine
IUPAC Name	dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
Molecular Weight	476.72
Molecular Formula	C33H49P
Canonical SMILES	CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C)C;
InChI	UGOMMVLRQDMAQQ-UHFFFAOYSA-N
InChI Key	InChI=1S/C33H49P/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3
Boiling Point	569.8±50.0 °C(Predicted)
Melting Point	187-190 °C(lit.)
Purity	98%
Appearance	Solid
Application	Exceptional ligands for Pd-catalyzed amination and amidation of aryl sulfonates. Ligand used for the Pd-catalyzed Suzuki-Miyaura coupling reaction and carbonyl enolate coupling. Ligand used for the chemoselective amination of aryl chlorides. Ligand used for the Pd-catalyzed borylation of aryl chlorides, for the formation of trifluoroborates. Ligand used for the Pd-catalyzed amination of vinyl halides and triflates. Ligand used for the Pd-catalyzed three-component synthesis of indoles. Ligand used for the Pt-catalyzed regioselective hydrosilylation of functionalized terminal arylalkynes. Ligand used for the Pd-catalyzed synthesis of carbazoles. Ligand used for the Pd-catalyzed Suzuki-Miyaura coupling of aryl chloride and NHC-boranes. Ligand used for the direct arylation of picoline N-oxide. Ligand used for the Negishi coupling of 2-heterocyclic organozinc reagents. Catalyst for a phosphine-catalyzed Heine reaction. Ligand used for the palladium-catalyzed oxidative coupling of indoles and heteroarenes. Ligand used for the silver-catalyzed hydrogenation of aldehydes. Ligand used for the palladium-catalyzed cyanation of heterycyclic halides.
Common Name	XPhos
Complexity	545
Covalently-Bonded Unit Count	1
Exact Mass	476.357g/mol
Heavy Atom Count	34
Isomeric SMILES	CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C)C
Monoisotopic Mass	476.357g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	0A^2
Type	Buchwald Ligands

Q&A

What is the chemical structure of 2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl?

The chemical structure of 2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl is dicyclohexyl(2',4',6'-triisopropyl-[1,1'-biphenyl]-2-yl)phosphine.

What is the CAS number of 2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl?

The CAS number of 2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl is 564483-18-7.

How many covalently-bonded units are present in 2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl?

There is 1 covalently-bonded unit present in 2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl.

What is the computed properties complexity of 2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl?

The computed properties complexity of 2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl is 545.

How many heavy atoms are present in 2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl?

There are 34 heavy atoms present in 2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl.

What is the XLogP3 value of 2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl?

The XLogP3 value of 2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl is 10.1.

Can 2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl act as a hydrogen bond acceptor or donor?

No, 2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl cannot act as a hydrogen bond acceptor or donor.

Are there any atom stereocenters defined in 2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl?

No, there are no atom stereocenters defined in 2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl.

What are the depositor-supplied synonyms for 2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl?

Some depositor-supplied synonyms for 2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl include X-Phos, XPhos, and 2-(Dicyclohexylphosphino)-2',4',6'-triisopropylbiphenyl.

Can you provide an example of a computed property of 2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl?

One example of a computed property of 2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl is the rotatable bond count, which is 7.