Specification
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;
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.
Covalently-Bonded Unit Count
3
Monoisotopic Mass
554.26g/mol
Topological Polar Surface Area
66.6A^2