2-Dicyclohexylphosphino-2',6'-dimethoxybiphenyl

Catalog Number	ACM657408076-1
CAS	657408-07-6
Structure
Synonyms	S-PHOS
IUPAC Name	dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane
Molecular Weight	410.53
Molecular Formula	C26H35O2P
Canonical SMILES	COC1=C(C(=CC=C1)OC)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4;
InChI	VNFWTIYUKDMAOP-UHFFFAOYSA-N
InChI Key	InChI=1S/C26H35O2P/c1-27-23-17-11-18-24(28-2)26(23)22-16-9-10-19-25(22)29(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h9-11,16-21H,3-8,12-15H2,1-2H3
Boiling Point	513.3±40.0 °C(Predicted)
Melting Point	164-166 °C
Purity	98%
Appearance	Solid
Application	Ligand/palladium catalyst for general Suzuki-Miyaura cross-coupling reactions. Ligand/palladium catalyst for the Suzuki-Miyaura coupling of aryltrifluoroborates with aryl chlorides. Ligand/palladium catalyst for the Suzuki-Miyaura reaction of heteroaryl halides and heteroaryl boronic acids and esters. Ligand/palladium catalyst for the Kumada-Corriu cross-coupling reaction. Ligand/palladium catalyst for the borylation of aryl halides with pinacol borane. Suzuki couplings involving amino acids. Synthesis of biaryl derivatives of 4-hydroxyphenyl glycine, tyrosine and tryptophan. Synthesis of substituted adamantylzinc reagents using Mg-insertion in the presence of zinc chloride. Highly efficient catalyst for the palladium-catalyzed Suzuki-Miyura reaction of heteroaryl halides and heteroaryl boronic acids and esters.
Storage	Refrigerated.
Common Name	SPhos
Complexity	441
Covalently-Bonded Unit Count	1
Exact Mass	410.237g/mol
Heavy Atom Count	29
Isomeric SMILES	COC1=C(C(=CC=C1)OC)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4
Monoisotopic Mass	410.237g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	18.5A^2
Type	Buchwald Ligands

Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane.

How many hydrogen bond acceptors does the compound have?

The compound has 2 hydrogen bond acceptors.

What is the molecular weight of the compound?

The molecular weight of the compound is 410.5g/mol.

What is the Canonical SMILES of the compound?

The Canonical SMILES of the compound is COC1=C(C(=CC=C1)OC)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4.

What is the monoistopic mass of the compound?

The monoistopic mass of the compound is 410.23746735.

What is the CAS number of the compound?

The CAS number of the compound is 657408-07-6.

How many heavy atoms are present in the compound?

The compound contains 29 heavy atoms.

What are some of the Depositor-Supplied Synonyms of the compound?

Some Depositor-Supplied Synonyms include SPhos, Dicyclohexyl(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)phosphine, and Buchwald phosphine ligands.

What is the InChI key of the compound?

The InChI key of the compound is VNFWTIYUKDMAOP-UHFFFAOYSA-N.