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 molecular formula of the compound with PubChem CID 66545337?

The molecular formula is C26H37O2P.

What is the synonyms for the compound with PubChem CID 66545337?

Some synonyms include SCHEMBL247302 and 2-dicyclohexylphosphino-2,6-dimethoxy-biphenyl.

When was the compound with PubChem CID 66545337 created and last modified?

It was created on 2012-10-24 and last modified on 2023-11-25.

What is the IUPAC Name of the compound with PubChem CID 66545337?

The IUPAC Name is dicyclohexyl-(1,3-dimethoxy-2-phenylcyclohexa-2,4-dien-1-yl)phosphane.

What is the InChIKey of the compound with PubChem CID 66545337?

The InChIKey is GGFKOVMZDAWYEX-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound with PubChem CID 66545337?

The Canonical SMILES is COC1=C(C(CC=C1)(OC)P(C2CCCCC2)C3CCCCC3)C4=CC=CC=C4.

What is the molecular weight of the compound with PubChem CID 66545337?

The molecular weight is 412.5 g/mol.

How many hydrogen bond acceptors does the compound with PubChem CID 66545337 have?

It has 2 hydrogen bond acceptors.

What is the topological polar surface area of the compound with PubChem CID 66545337?

The topological polar surface area is 18.5Ų.

Is the compound with PubChem CID 66545337 canonicalized?

Yes, the compound is canonicalized.