CyPAd-DalPhos

Inquiry

Molecular Formula:

C28H42O3P2

Molecular Weight:

488.58

CAS Number:

1902911-41-4

Catalog Number:

1902911-41-4

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

Canonical 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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

488.26091919 g/mol

Monoisotopic Mass

488.26091919 g/mol

Topological Polar Surface Area

27.7Å²

Heavy Atom Count

Formal Charge

Complexity

689

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)

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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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Volume _(final)

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CyPAd-DalPhos

Product Information

Computed Properties

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