2-(Di-tert-butylphosphino)dimethylaminobenzene

Product Information

Molecular Formula:
C16H28NP
Molecular Weight:
265.37
Description
2-(Di-tert-butylphosphino)dimethylaminobenzene is a biomedical compound used as a ligand in catalytic transformations. It's especially prominent in the development of antitumor drugs targeting platinum-based chemotherapeutics for cancers due to its high reactivity with platinum ions.
Synonyms
2-(Di-tert-butylphosphino)-N,N-dimethylaniline,Di-tert-butyl(2-dimethylaminophenyl)phosphine
IUPAC Name
2-ditert-butylphosphanyl-N,N-dimethylaniline
Canonical SMILES
CC(C)(C)P(C1=CC=CC=C1N(C)C)C(C)(C)C
InChI
InChI=1S/C16H28NP/c1-15(2,3)18(16(4,5)6)14-12-10-9-11-13(14)17(7)8/h9-12H,1-8H3
InChI Key
NTJPAGHACOIILD-UHFFFAOYSA-N
Melting Point
50-53 °C
Flash Point
Not applicable
Purity
97%

Computed Properties

XLogP3
3.6
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
4
Exact Mass
265.195936895 g/mol
Monoisotopic Mass
265.195936895 g/mol
Topological Polar Surface Area
3.2Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
245
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
KR-20210151833-A Macrocyclic azolopyridine derivatives as EED and PRC2 modulators 2019-03-15
WO-2020152200-A1 Process for preparation of heteroarylketones 2019-01-25
US-2019033185-A1 High Throughput Methods for Screening Chemical Reactions Using Reagent-Coated Bulking Agents 2017-07-31
US-2019383712-A9 High Throughput Methods for Screening Chemical Reactions Using Reagent-Coated Bulking Agents 2017-07-31
US-9701692-B1 Synthesis of thienothiophenes 2016-03-11
JP-2019501222-A Selective inhibitors of clinically important variants of EGFR tyrosine kinase 2016-01-07
MX-2014010377-A HETEROBICICLIC COMPOUNDS. 2012-02-29
KR-20140103328-A Disubstituted benzothienyl-pyrrolotriazines and uses thereof as FGFR kinase inhibitors 2011-12-15
KR-20140098050-A Benzofluorene compound, material for luminescent layer using said compound and organic electroluminescent device 2011-11-25
JP-2012214707-A Process for producing aromatic polymer 2011-03-29

Literatures

PMID Publication Date Title Journal
20024992 2010-02-08 A highly versatile catalyst system for the cross-coupling of aryl chlorides and amines Chemistry (Weinheim an der Bergstrasse, Germany)
The molarity calculator equation

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

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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