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Cross-Coupling Reaction Catalyst
CHLORO[(1,2,3-Η)-3-PHENYL-2-PROPENYL][1,3-BIS(2,6-DI-I-PROPYLPHENYL)-4,5-DIHYDROIMIDAZOL-2-YLIDENE]PALLADIUM(II)

CHLORO[(1,2,3-Η)-3-PHENYL-2-PROPENYL][1,3-BIS(2,6-DI-I-PROPYLPHENYL)-4,5-DIHYDROIMIDAZOL-2-YLIDENE]PALLADIUM(II)

Name: CHLORO[(1,2,3-Η)-3-PHENYL-2-PROPENYL][1,3-BIS(2,6-DI-I-PROPYLPHENYL)-4,5-DIHYDROIMIDAZOL-2-YLIDENE]PALLADIUM(II)
Brand: BOC Sciences
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Molecular Formula:

Neolyst CX32

CAS Number:

884879-24-7

Catalog Number:

884879-24-7

Product Information

Molecular Formula:

Neolyst CX32

Description

Catalyst for:• Heterocyclization reactions• Buchwald-Hartwig cross coupling• Suzuki-Miyaura reactions

Synonyms

CHLORO[(1,2,3-Η)-3-PHENYL-2-PROPENYL][1,3-BIS(2,6-DI-I-PROPYLPHENYL)-4,5-DIHYDROIMIDAZOL-2-YLIDENE]PALLADIUM(II); Chloro[(1,2,3-n)-3-phenyl-2-propenyl][1,3-bis(2,6-di-i-propylphenyl)-4,5-dihydroimidazol-2-ylidene]palladium(II),min.97%; PHENYLALLYLCHLORO-[1

Canonical SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)N2CC[N+](=[C-]2)C3=C(C=CC=C3C(C)C)C(C)C.C=C[CH]C1=CC=CC=C1.Cl[Pd+]

InChI

InChI=1S/C27H38N2.C9H9.ClH.Pd/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)81-2-6-9-7-4-3-5-8-9/h9-14,18-21H,15-16H2,1-8H32-8H,1H21H/q+2/p-1

InChI Key

RYSQOEMHCPJAGB-UHFFFAOYSA-M

Melting Point

127-130 °C

Flash Point

Not applicable

Purity

95%

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P302 + P352 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

648.24626 g/mol

Monoisotopic Mass

648.24626 g/mol

Topological Polar Surface Area

6.2Å²

Heavy Atom Count

Formal Charge

Complexity

557

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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CHLORO[(1,2,3-Η)-3-PHENYL-2-PROPENYL][1,3-BIS(2,6-DI-I-PROPYLPHENYL)-4,5-DIHYDROIMIDAZOL-2-YLIDENE]PALLADIUM(II)

Product Information

Safety Information

Computed Properties

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