RuPhos Pd G1 Methyl t--Butyl Ether Adduct

Inquiry

Molecular Formula:

C38H53ClNO2PPd · CH3OC4H9

Molecular Weight:

816.83

CAS Number:

2361069-97-6

Catalog Number:

2361069-97-6

Product Information

Molecular Formula:

C38H53ClNO2PPd · CH3OC4H9

Molecular Weight:

816.83

Description

Application Guide for Palladium Catalyzed Cross-Coupling Reactions
Catalyst for Buchwald-Hartwig amination reaction.

Synonyms

(RuPhos) palladium(II) phenethylamine chloride (1:1 MTBE solvate),Chloro-(2-Dicyclohexylphosphino-2',6'-diisopropoxy-1,1'-biphenyl)[2-(2-aminoethyl)phenyl]palladium(II) - methyl-t-butyl ether adduct,RuPhos Palladacycle,RuPhos precatalyst

IUPAC Name

chloropalladium(1+)dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane2-methoxy-2-methylpropane2-phenylethanamine

Canonical SMILES

CC(C)OC1=C(C(=CC=C1)OC(C)C)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4.CC(C)(C)OC.C1=CC=C([C-]=C1)CCN.Cl[Pd+]

InChI

InChI=1S/C30H43O2P.C8H10N.C5H12O.ClH.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)25-16-9-6-10-17-259-7-6-8-4-2-1-3-5-81-5(2,3)6-4/h11-13,18-25H,5-10,14-17H2,1-4H31-4H,6-7,9H21-4H31H/q-1+2/p-1

InChI Key

FINPLSBBDVRBPA-UHFFFAOYSA-M

Melting Point

180-200 °C

Purity

95%

Safety Information

Hazards

H314 - H335

Precautionary Statement

P261 - P271 - P303 + P361 + P353 - P304 + P340 + P312 - P305 + P351 + P338 - P403 + P233

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

815.34254 g/mol

Monoisotopic Mass

815.34254 g/mol

Topological Polar Surface Area

53.7Å²

Heavy Atom Count

Formal Charge

Complexity

722

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 G1 Methyl t--Butyl Ether Adduct

Product Information

Safety Information

Computed Properties

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