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

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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
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
4
Exact Mass
404.23813606 g/mol
Monoisotopic Mass
404.23813606 g/mol
Topological Polar Surface Area
17.8Ų
Heavy Atom Count
29
Formal Charge
0
Complexity
495
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
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
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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