2-Dicyclohexylphosphino-2',6'-dimethoxybiphenyl

• Catalog Number: ACM657408076-1
• Product Name: 2-Dicyclohexylphosphino-2',6'-dimethoxybiphenyl
• CAS: 657408-07-6
• Category: Organic Phosphine Compounds
• 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
• 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.
• Complexity: 441
• Covalently-Bonded Unit Count: 1
• Exact Mass: 410.237g/mol
• H-Bond Acceptor: 2
• 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
• UNII: XI1MQ32186

Custom 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.