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1-Methyl-2-(2-dicyclohexylphosphinophenyl)-1H-benzoimidazole

1-Methyl-2-(2-dicyclohexylphosphinophenyl)-1H-benzoimidazole

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Molecular Formula:

C26H33N2P

Molecular Weight:

404.53

CAS Number:

1357398-60-7

Catalog Number:

1357398-60-7

Product Information

Molecular Formula:

C26H33N2P

Molecular Weight:

404.53

Description

Phosphine ligand for Suzuki coupling of aryl mesylates.

Synonyms

2-(2-(Dicyclohexylphosphanyl)phenyl)-1-methyl-1H-benzo[d]imidazole; 1-Methyl-2-[2-(dicyclohexylphosphino)phenyl]-1H-benzoimidazole; 1-Methyl-2-(2-dicyclohexylphosphinophenyl)-1H-benzoimidazole, 95%

IUPAC Name

dicyclohexyl-[2-(1-methylbenzimidazol-2-yl)phenyl]phosphane

Canonical SMILES

CN1C2=CC=CC=C2N=C1C3=CC=CC=C3P(C4CCCCC4)C5CCCCC5

InChI

InChI=1S/C26H33N2P/c1-28-24-18-10-9-17-23(24)27-26(28)22-16-8-11-19-25(22)29(20-12-4-2-5-13-20)21-14-6-3-7-15-21/h8-11,16-21H,2-7,12-15H2,1H3

InChI Key

IBOIHFPCQHFOOP-UHFFFAOYSA-N

Melting Point

153-158 °C

Purity

95%

Safety Information

Hazards

H315-H319-H335

Precautionary Statement

P261-P305 + P351 + P338

Computed Properties

XLogP3

6.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

404.23813606 g/mol

Monoisotopic Mass

404.23813606 g/mol

Topological Polar Surface Area

17.8Å²

Heavy Atom Count

Formal Charge

Complexity

495

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

Patents

Publication Number	Title	Priority Date
WO-2020152200-A1	Process for preparation of heteroarylketones	2019-01-25
WO-2019016115-A1	PROCESS FOR THE PREPARATION OF SUBSTITUTED ARYLE KETONES	2017-07-21

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Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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