2'-Dicyclohexylphosphino-2,6-di-i-propyl-4-sulfonato-1,1'-biphenyl hydrate sodium salt

• Catalog Number: ACM870245844
• Product Name: 2'-Dicyclohexylphosphino-2,6-di-i-propyl-4-sulfonato-1,1'-biphenyl hydrate sodium salt
• CAS: 870245-84-4
• Category: Organic Phosphine Compounds
• Synonyms: AK122632; C30H44NaO4PS; Sodium 2'-(dicyclohexylphosphino)-2,6-diisopropyl-[1,1'-biphenyl]-4-sulfonate hydrate; sodium; DTXSID00855870; Sodium 2'-(dicyclohexylphosphanyl)-2,6-di(propan-2-yl)[1,1'-biphenyl]-4-sulfonate--water (1/1/1); sodium 2'-(dicyclohexylphosphanyl)-2,6-diisopropyl-[1,1'-biphenyl]-4-sulfonate hydrate; 2'-DICYCLOHEXYLPHOSPHINO-2,6-DI-I-PROPYL-4-SULFONATO-1,1'-BIPHENYL HYDRATE SODIUM SALT; SCHEMBL2673886; XPHOS-SO3NA HYDRATE
• IUPAC Name: sodium;4-(2-dicyclohexylphosphanylphenyl)-3,5-di(propan-2-yl)benzenesulfonate;hydrate
• Molecular Weight: 554.702g/mol
• Molecular Formula: C30H44NaO4PS
• Canonical SMILES: CC(C)C1=CC(=CC(=C1C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C)C)S(=O)(=O)[O-].O.[Na+]
• InChI: InChI=1S/C30H43O3PS.Na.H₂O/c1-21(2)27-19-25(35(31,32)33)20-28(22(3)4)30(27)26-17-11-12-18-29(26)34(23-13-7-5-8-14-23)24-15-9-6-10-16-24;;/h11-12,17-24H,5-10,13-16H2,1-4H3,(H,31,32,33);;1H2/q;+1;/p-1
• InChI Key: JMGIRGSNIJFBDI-UHFFFAOYSA-M
• Application: Water soluble catalyst for Sonogashira coupling reactions; ; Water soluble catalyst for coupling of benzyl chloride and terminal alkynes.; ; Water soluble ligand for cyanation of aryl chlorides and aryl sulfonates with potassium ferrocyanide.
• Complexity: 719
• Covalently-Bonded Unit Count: 3
• Exact Mass: 554.26g/mol
• H-Bond Acceptor: 4
• H-Bond Donor: 1
• Heavy Atom Count: 37
• Monoisotopic Mass: 554.26g/mol
• Rotatable Bond Count: 7
• Topological Polar Surface Area: 66.6A^2