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 molecular formula of 2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl?

The molecular formula is C33H51P.

What is the molecular weight of 2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl?

The molecular weight is 478.7 g/mol.

When was 2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl created?

It was created on 2012-11-30.

What is the IUPAC name of 2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl?

The IUPAC name is dicyclohexyl-[2-phenyl-1,3,5-tri(propan-2-yl)cyclohexa-2,4-dien-1-yl]phosphane.

What is the Canonical SMILES of 2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl?

The Canonical SMILES is CC(C)C1=CC(=C(C(C1)(C(C)C)P(C2CCCCC2)C3CCCCC3)C4=CC=CC=C4)C(C)C.

How many hydrogen bond donor counts does 2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl have?

It has 0 hydrogen bond donor counts.

What is the topological polar surface area of 2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl?

The topological polar surface area is 0-2.

How many rotatable bond counts does 2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl have?

It has 7 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the exact mass of 2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl?

The exact mass is 478.37283862 g/mol.