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Molecular Formula:

C33H49OP

Molecular Weight:

492.72

CAS Number:

1848244-75-6

Catalog Number:

1848244-75-6

Product Information

Molecular Formula:

C33H49OP

Molecular Weight:

492.72

Description

As the Pd G4 complex, this ligand from the Buchwald group offers best-in-class performance in the micellar aqueous Negishi coupling of heterocyclic alkyl bromides.

Synonyms

2-Dicyclohexylphosphino-2'-methoxy-4',6'-di-tert-butylbiphenyl,4,6-Di-tert-butyl-2'-dicyclohexylphosphino-2-methoxybiphenyl

IUPAC Name

dicyclohexyl-[2-(2,4-ditert-butyl-6-methoxyphenyl)phenyl]phosphane

Canonical SMILES

CC(C)(C)C1=CC(=C(C(=C1)OC)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C)(C)C

InChI

InChI=1S/C33H49OP/c1-32(2,3)24-22-28(33(4,5)6)31(29(23-24)34-7)27-20-14-15-21-30(27)35(25-16-10-8-11-17-25)26-18-12-9-13-19-26/h14-15,20-23,25-26H,8-13,16-19H2,1-7H3

InChI Key

LYVFKWGKMKCNPE-UHFFFAOYSA-N

Melting Point

113-118 °C

Flash Point

Not applicable

Purity

95%

Computed Properties

XLogP3

10.1

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

492.35210318 g/mol

Monoisotopic Mass

492.35210318 g/mol

Topological Polar Surface Area

9.2Å²

Heavy Atom Count

Formal Charge

Complexity

615

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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Computed Properties

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