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

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

Name: 1-Methyl-2-(2-diphenylphosphinophenyl)-1H-benzoimidazole
Brand: BOC Sciences
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Molecular Formula:

C26H21N2P

Molecular Weight:

392.43

CAS Number:

1357398-59-4

Catalog Number:

1357398-59-4

Product Information

Molecular Formula:

C26H21N2P

Molecular Weight:

392.43

Description

Efficient ligand for Suzuki-Miyaura coupling with of aryl mesylates and Buchwald-Hartwig amination with aryl chlorides.

Synonyms

1-methyl-2-(2-diphenylphosphinophenyl)-1h-benzoimidazole; [2-(1-methylbenzimidazol-2-yl)phenyl]-diphenylphosphane; 1-Methyl-2-[2-(diphenylphosphino)phenyl]-1H-benzoimidazole; 1-Methyl-2-(2-diphenylphosphinophenyl)-1H-benzoimidazole, 95%

IUPAC Name

[2-(1-methylbenzimidazol-2-yl)phenyl]-diphenylphosphane

Canonical SMILES

CN1C2=CC=CC=C2N=C1C3=CC=CC=C3P(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H21N2P/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/h2-19H,1H3

InChI Key

BVVIYNVQLLTULW-UHFFFAOYSA-N

Melting Point

166-172 °C

Purity

95%

Storage

20-25°C

Safety Information

Hazards

H315-H319-H335

Precautionary Statement

P261-P305 + P351 + P338

Computed Properties

XLogP3

5.8

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

392.144235676 g/mol

Monoisotopic Mass

392.144235676 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
EP-2757106-A1	Substituted benzimidazole phosphine compounds and a method for decarboxylating carbon-carbon bond	2013-01-21
WO-2014111493-A1	Substituted benzimidazolyl phosphine compounds and a method for decarboxylating carbon-carbon linking	2013-01-21
WO-2011152358-A1	Membrane containing silver complex	2010-05-31
CA-2662276-A1	Ligand exchange thermochromic, (letc), systems	2006-09-01
EP-2082005-A1	Ligand exchange thermochromic, (letc), systems	2006-09-01
EP-2082005-B1	Ligand exchange thermochromic, (letc), systems	2006-09-01
EP-2082005-B9	Ligand exchange thermochromic, (letc), systems	2006-09-01
EP-2434000-A2	Ligand exchange thermochromic, (LETC), systems	2006-09-01