SPhos Pd G2

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Molecular Formula:

C38H45ClNO2PPd

Molecular Weight:

720.62

CAS Number:

1375325-64-6

Catalog Number:

1375325-64-6

Product Information

Molecular Formula:

C38H45ClNO2PPd

Molecular Weight:

720.62

Description

Application in Suzuki-Miyaura coupling:• Self-arylation of 1-alkyl-3-bromo-2-phenyl-2,1-borazaronaphthalenes to form 2,1-borazaronaphthols.• Suzuki-Miyaura coupling of [Ru(bpy)2]+ with 4-carboxyphenylboronic acid.• Suzuki-Miyaura coupling of β-borylated porphyrins with 2-iodoaniline.

Synonyms

2nd Generation SPhos Precatalyst,Chloro(2-dicyclohexylphosphino-2',6'-dimethoxy-1,1'-biphenyl)[2-(2'-amino-1,1'-biphenyl)]palladium(II),SPhos-Pd-G2

IUPAC Name

chloropalladium(1+)dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane2-phenylaniline

Canonical SMILES

COC1=C(C(=CC=C1)OC)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4.C1=CC=C([C-]=C1)C2=CC=CC=C2N.Cl[Pd+]

InChI

InChI=1S/C26H35O2P.C12H10N.ClH.Pd/c1-27-23-17-11-18-24(28-2)26(23)22-16-9-10-19-25(22)29(20-12-5-3-6-13-20)21-14-7-4-8-15-2113-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h9-11,16-21H,3-8,12-15H2,1-2H31-6,8-9H,13H21H/q-1+2/p-1

InChI Key

HODHLQXRQOHAAZ-UHFFFAOYSA-M

Melting Point

218 °C (dec.)

Flash Point

Not applicable

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

719.19112 g/mol

Monoisotopic Mass

719.19112 g/mol

Topological Polar Surface Area

44.5Å²

Heavy Atom Count

Formal Charge

Complexity

712

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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SPhos Pd G2

Product Information

Computed Properties

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