Sodium 2-dicyclohexylphosphino-2,6-dimethoxy-1,1-biphenyl-3-sulfonate hydrate
Product Information
Molecular Formula
C26H36NaO6PS
Molecular Weight
512.57 (anhydrous basis)
Description
Sulfonated ligand for palladium-catalyzed Suzuki-Miyaura coupling under aqueous conditions facilitating isolation of the organic products.
Synonyms
SSPhos, SPhos (water soluble), [1,1-Biphenyl]-3-sulfonic acid, 2-(dicyclohexylphosphino)-2,6-dimethoxy- sodium salt
IUPAC Name
sodium;3-(2-dicyclohexylphosphanylphenyl)-2,4-dimethoxybenzenesulfonate;hydrate
SMILES
COC1=C(C(=C(C=C1)S(=O)(=O)[O-])OC)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4.O.[Na+]
InChI
InChI=1S/C26H35O5PS.Na.H2O/c1-30-22-17-18-24(33(27,28)29)26(31-2)25(22)21-15-9-10-16-23(21)32(19-11-5-3-6-12-19)20-13-7-4-8-14-20;;/h9-10,15-20H,3-8,11-14H2,1-2H3,(H,27,28,29);;1H2/q;+1;/p-1
InChI Key
MAPQBSXKBDVINV-UHFFFAOYSA-M
Purity
95 %
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
7
Exact Mass
530.18679132 g/mol
Monoisotopic Mass
530.18679132 g/mol
Topological Polar Surface Area
85Ų
Heavy Atom Count
35
Formal Charge
0
Complexity
687
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
3
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-110359097-A | The method that On-DNA aromatic compound is obtained by Suzuki coupling reaction in the building of DNA encoding compound library | 2019-07-08 |
| KR-20210029156-A | Novel synthetic method using natural chemical ligation in influent | 2018-05-22 |
| EP-3782995-A1 | Histone acetyltransferase (hat) inhibitor and use thereof | 2018-04-20 |
| US-2021101891-A1 | Histone acetyltransferase (hat) inhibitor and use thereof | 2018-04-20 |
| US-2022002278-A9 | Histone acetyltransferase (hat) inhibitor and use thereof | 2018-04-20 |
| TW-201936614-A | Compounds and compositions as endosome steroid (TOLL-LIKE) receptor inhibitors | 2018-02-26 |
| WO-2019141131-A1 | Bromodomain inhibitor compound and use thereof | 2018-01-16 |
| EP-3741758-A1 | Bromodomain inhibitor compound and use thereof | 2018-01-16 |
| US-2020354371-A1 | Bromodomain inhibitor compound and use thereof | 2018-01-16 |
| CN-110041333-B | Bromodomain inhibitor compounds and uses thereof | 2018-01-16 |
