4-(Diethylphosphino)-N,N-dimethylaniline

Inquiry

Molecular Formula:

C12H20NP

Molecular Weight:

209.27

CAS Number:

17005-57-1

Catalog Number:

17005-57-1

Product Information

Molecular Formula:

C12H20NP

Molecular Weight:

209.27

Description

4-(Diethylphosphino)-N,N-dimethylaniline is a fundamental compound extensively employed in the synthesis of diverse pharmaceuticals for the biomedical sector. Its inclusion of a phosphine entity assumes a pivotal position as a ligand within catalytic pathways, facilitating the establishment of carbon-carbon interactions. Notably, this exceptional entity embraces profound implications in the realm of medicinal chemistry, empowering the development of therapeutic agents targeting a spectrum of ailments and disorders.

Synonyms

4-(Diethylphosphino)-N,N-dimethylbenzenamine,Diethyl[4-(N,N-dimethylamino)phenyl]phosphine,Ellman Ligand

IUPAC Name

4-diethylphosphanyl-N,N-dimethylaniline

Canonical SMILES

CCP(CC)C1=CC=C(C=C1)N(C)C

InChI

InChI=1S/C12H20NP/c1-5-14(6-2)12-9-7-11(8-10-12)13(3)4/h7-10H,5-6H2,1-4H3

InChI Key

FMNOWZMFKYVARU-UHFFFAOYSA-N

Flash Point

Not applicable

Purity

97%

Density

1.023 g/mL at 25 °C (lit.)

Storage

2-8°C

Refractive Index

n20/D 1.583 (lit.)

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P302 + P352 - P305 + P351 + P338

Computed Properties

XLogP3

2.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

209.133336640 g/mol

Monoisotopic Mass

209.133336640 g/mol

Topological Polar Surface Area

3.2Å²

Heavy Atom Count

Formal Charge

Complexity

146

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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