CyPAd-DalPhos
Product Information
Molecular Formula
C28H42O3P2
Molecular Weight
488.58
Description
CyPAd-DalPhos is ligand developed in the Stradiotto lab that when combined with a Ni(II) source forms an air stable pre catalyst for C(sp2)-O coupling and N-arylation reactions.
Synonyms
8-(2-(Dicyclohexylphosphaneyl)phenyl)-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphaadamantane
IUPAC Name
dicyclohexyl-[2-(1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decan-8-yl)phenyl]phosphane
SMILES
CC12CC3(OC(O1)(CC(O2)(P3C4=CC=CC=C4P(C5CCCCC5)C6CCCCC6)C)C)C
InChI
InChI=1S/C28H42O3P2/c1-25-19-27(3)31-26(2,29-25)20-28(4,30-25)33(27)24-18-12-11-17-23(24)32(21-13-7-5-8-14-21)22-15-9-6-10-16-22/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3
InChI Key
RDFYIHPJEXXODP-UHFFFAOYSA-N
Melting Point
181-182 °C
Purity
≥95%
Computed Properties
XLogP3
5.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
488.26091919 g/mol
Monoisotopic Mass
488.26091919 g/mol
Topological Polar Surface Area
27.7Ų
Heavy Atom Count
33
Formal Charge
0
Complexity
689
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
4
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
