PAd-DalPhos

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Product Information

Molecular Formula:
C30H34O3P2
Molecular Weight:
504.54
Description
PAd-DalPhos is a versatile air stable pre-catalyst for C(sp2)-N coupling. It catalyzes N-arylation of amides with (hetero)aryl (pseudo)halide. It can also be used in the synthesis of unsymmetrical 1,3-di(hetero)aryl-1H-indazoles from hydrazine, o-chloro (hetero)benzophenones and (hetero)aryl bromides.
Synonyms
PAd-DalPhos, 95%; 1,3,5,7-Tetramethyl-8-(2-di-o-tolylphosphinophenyl)-2,4,6-trioxa-8-phosphaadamantane PAd-DalPhos
IUPAC Name
bis(2-methylphenyl)-[2-(1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decan-8-yl)phenyl]phosphane
Canonical SMILES
CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3P4C5(CC6(OC(O5)(CC4(O6)C)C)C)C
InChI
InChI=1S/C30H34O3P2/c1-21-13-7-9-15-23(21)34(24-16-10-8-14-22(24)2)25-17-11-12-18-26(25)35-29(5)19-27(3)31-28(4,33-29)20-30(35,6)32-27/h7-18H,19-20H2,1-6H3
InChI Key
RTLXHCKHEDGJLB-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
95%

Computed Properties

XLogP3
5.9
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
504.19831894 g/mol
Monoisotopic Mass
504.19831894 g/mol
Topological Polar Surface Area
27.7Ų
Heavy Atom Count
35
Formal Charge
0
Complexity
757
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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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