PAd-DalPhos

Inquiry

Molecular Formula:

C30H34O3P2

Molecular Weight:

504.54

CAS Number:

1902911-38-9

Catalog Number:

1902911-38-9

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

504.19831894 g/mol

Monoisotopic Mass

504.19831894 g/mol

Topological Polar Surface Area

27.7Å²

Heavy Atom Count

Formal Charge

Complexity

757

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

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

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

Calculate

PAd-DalPhos

Product Information

Computed Properties

Related Products