RuPhos Pd G3

Inquiry

Molecular Formula:

C43H56NO5PPdS

Molecular Weight:

836.37

CAS Number:

1445085-77-7

Catalog Number:

1445085-77-7

Product Information

Molecular Formula:

C43H56NO5PPdS

Molecular Weight:

836.37

Description

RuPhos Pd G3 can be used as a pre-catalyst in the following protocols:• Palladium-catalyzed Suzuki coupling of 5-p-toluenesulfonyltetrazoles with arylboronic acids to synthesize 1,5-disubstituted tetrazoles.• Suzuki-Miyaura catalyst-transfer polycondensation (SCTP) of 3-alkylthiophenes in the presence of N-methylimidodiacetic (MIDA)-boronate monomers.• Suzuki-Miyaura-cross-coupling of aminothiophenes.

Synonyms

(2-Dicyclohexylphosphino-2',6'-diisopropoxy-1,1'-biphenyl)[2-(2'-amino-1,1'-biphenyl)]palladium(II) methanesulfonate,RuPhos-G3-Palladacycle,RuPhos-Pd-G3

IUPAC Name

dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphanemethanesulfonic acidpalladium2-phenylaniline

Canonical SMILES

CC(C)OC1=C(C(=CC=C1)OC(C)C)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4.CS(=O)(=O)O.C1=CC=C([C-]=C1)C2=CC=CC=C2N.[Pd]

InChI

InChI=1S/C30H43O2P.C12H10N.CH4O3S.Pd/c1-22(2)31-27-19-13-20-28(32-23(3)4)30(27)26-18-11-12-21-29(26)33(24-14-7-5-8-15-24)25-16-9-6-10-17-2513-12-9-5-4-8-11(12)10-6-2-1-3-7-101-5(2,3)4/h11-13,18-25H,5-10,14-17H2,1-4H31-6,8-9H,13H21H3,(H,2,3,4)/q-1

InChI Key

GYTUQNMMIUJBSP-UHFFFAOYSA-N

Melting Point

188-196 °C (decomposition)

Flash Point

Not applicable

Purity

95%

Safety Information

Hazards

H315 - H319 - H335 - H412

Precautionary Statement

P273 - P302 + P352 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

836.27299 g/mol

Monoisotopic Mass

836.27299 g/mol

Topological Polar Surface Area

107Å²

Heavy Atom Count

Formal Charge

-1

Complexity

965

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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RuPhos Pd G3

Product Information

Safety Information

Computed Properties

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