EvanPhos

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Molecular Formula:

C31H39O3P

Molecular Weight:

490.61

CAS Number:

2223634-83-9

Catalog Number:

2223634-83-9

Product Information

Molecular Formula:

C31H39O3P

Molecular Weight:

490.61

Description

EvanPhos is a new biaryl phosphine ligand designed in the Lipshutz Lab as a Pd-complexed pre-catalyst for Suzuki-Miyaura cross couplings. Micellar catalysis was demonstrated with the surfactant TPGS-750-M, 2 wt. % in H2O (cat# 733857) and is an attractive technology for greener chemistry.

Synonyms

Biaryl phosphine ligand for Pd catalysis,Dicyclohexyl(2,6-dimethoxy-3-(2-methoxynaphthalen-1-yl)phenyl)phosphane

IUPAC Name

dicyclohexyl-[2,6-dimethoxy-3-(2-methoxynaphthalen-1-yl)phenyl]phosphane

Canonical SMILES

COC1=C(C2=CC=CC=C2C=C1)C3=C(C(=C(C=C3)OC)P(C4CCCCC4)C5CCCCC5)OC

InChI

InChI=1S/C31H39O3P/c1-32-27-20-18-22-12-10-11-17-25(22)29(27)26-19-21-28(33-2)31(30(26)34-3)35(23-13-6-4-7-14-23)24-15-8-5-9-16-24/h10-12,17-21,23-24H,4-9,13-16H2,1-3H3

InChI Key

IJZUTUMBEYLTNN-UHFFFAOYSA-N

Melting Point

131-133 °C

Flash Point

Not applicable

Purity

≥95%

Computed Properties

XLogP3

7.9

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

490.26368210 g/mol

Monoisotopic Mass

490.26368210 g/mol

Topological Polar Surface Area

27.7Å²

Heavy Atom Count

Formal Charge

Complexity

613

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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EvanPhos

Product Information

Computed Properties

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