Sodium 2'-(dicyclohexylphosphino)-2,6-dimethoxybiphenyl-3-sulfonate

HCID 23677046CAS 870245-75-3

Substructure search Find similar structures

Basic information

Standard SMILES: COc1ccc(S(=O)(=O)[O-])c(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.[Na+]
InChIKey: YKLJDMCXKMIXBD-UHFFFAOYSA-M
Molecular formula: C26H34NaO5PS
Average molar mass: 512.6 g/mol

Names & identifiers

Preferred name: Sodium 2'-(dicyclohexylphosphino)-2,6-dimethoxybiphenyl-3-sulfonate
IUPAC: sodium 3-(2-dicyclohexylphosphanylphenyl)-2,4-dimethoxybenzenesulfonate
English name: 2'-Dicyclohexylphosphino-2,6-dimethoxy-3-sulfonato-1,1'-biphenyl hydrate sodium salt
Molecular formula: C26H36NaO5PS
Molecular weight: 514.59

Names & synonyms

870245-75-3sodium 2'-(dicyclohexylphosphino)-2,6-dimethoxy-[1,1'-biphenyl]-3-sulfonateMFCD14702646Sodium 2-(dicyclohexylphosphino)-2',6'-dimethoxybiphenyl-3'-sulfonateSODIUM 2'-(DICYCLOHEXYLPHOSPHINO)-2,6-DIMETHOXYBIPHENYL-3-SULFONATESODIUM 2'-(DICYCLOHEXYLPHOSPHANYL)-2,6-DIMETHOXY-[1,1'-BIPHENYL]-3-SULFONATE2'-Dicyclohexylphosphino-2,6-dimethoxy-3-sulfonato-1,1'-biphenyl hydrate sodium salt (water soluble SPhos)C26H34NaO5PSSCHEMBL343513SCHEMBL29493513YKLJDMCXKMIXBD-UHFFFAOYSA-Msodium;3-(2-dicyclohexylphosphanylphenyl)-2,4-dimethoxybenzenesulfonate

Show more names

2'-Dicyclohexylphosphino-2,6-diMethoxy-3-sulfonatoSodium 2'-(dicyclohexylphosphino)-2,6-dimethoxy-3-biphenylsu...Sodium2-(dicyclohexylphosphino)-2',6'-dimethoxybiphenyl-3'-sulfonateSodium salt of 2′-dicyclohexyl-2,6-dimethoxy-3-sulfonic acid-1,1′-biphenyl hydrate2′-(dicyclohexylphosphino)-2,6-dimethoxy-[1,1′-Biphenyl]-3-sulfonic acid sodium saltSodium 2'-(dicyclohexylphosphino)-2,6-dimethoxy-3-biphenylsulfona te hydrate (1:1:1)2'-DICYCLOHEXYLPHOSPHINO-2,6-DIMETHOXY-3-SULFONATO-1,1'-BIPHENYL HYDRATE SODIUM SALT[1,1'-Biphenyl]-3-sulfonic acid, 2'-(dicyclohexylphosphino)-2,6-diMethoxy-, sodiuM salt

MB13931SY300105CS-0085843E78614EN300-20680797F849459sodium 2-dicyclohexylphosphino-2',6'-dimethoxybiphenyl-3'-sulfonate[3-(2-dicyclohexylphosphanylphenyl)-2,4-dimethoxy-phenyl]sulfonyloxysodium

Database identifiers

CAS: 870245-75-3
PubChem CID: 23677046
EC Number: 617-945-5
Nikkaji: J2.248.162B

Properties

Computed structural properties

Topological polar surface area: 84 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 34
Formal charge: 0
Complexity: 686

Physicochemical properties

storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C

Chemistry & industry

Applications

Uses2'-Dicyclohexylphosphino-2,6-dimethoxy-3-sulfonato-1,1'-biphenyl hydrate sodium salt(water soluble SPhos) is an organophosphine compound, which is often used as a special ligand in catalytic reactions in the field of organic synthesis.