4-(Diethylphosphino)-N,N-dimethylaniline
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
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
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
4
Exact Mass
209.133336640 g/mol
Monoisotopic Mass
209.133336640 g/mol
Topological Polar Surface Area
3.2Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
146
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 |
