2-(Di-t-butylphosphinomethyl)-6-(diethylaminomethyl)pyridine,98%

Product Information

Molecular Formula:
C19H35N2P
Molecular Weight:
322.47
Description
2-(Di-t-butylphosphinomethyl)-6-(diethylaminomethyl)pyridine,98% embodies a distinct pharmaceutical compound, routinely encompassed within antiviral drug formulations. It plays an important role in inhibiting viral replication and is primarily studied in pathological conditions such as hepatitis C and HIV.
Synonyms
PNN
IUPAC Name
N-[[6-(ditert-butylphosphanylmethyl)pyridin-2-yl]methyl]-N-ethylethanamine
Canonical SMILES
CCN(CC)CC1=NC(=CC=C1)CP(C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C19H35N2P/c1-9-21(10-2)14-16-12-11-13-17(20-16)15-22(18(3,4)5)19(6,7)8/h11-13H,9-10,14-15H2,1-8H3
InChI Key
MTBWGMDPQBSPGF-UHFFFAOYSA-N
Flash Point
154.0 °F
Density
0.936 g/mL at 25 °C
Refractive Index
n20/D 1.519

Safety Information

Hazards
H261 - H315 - H319 - H335 - H413
Precautionary Statement
P231 + P232 - P273 - P302 + P352 - P305 + P351 + P338

Computed Properties

XLogP3
3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
8
Exact Mass
322.25378612 g/mol
Monoisotopic Mass
322.25378612 g/mol
Topological Polar Surface Area
16.1Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
298
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-2021001240-A1 Hydrogenation of esters to alcohols in the presence of a ru-pnn complex 2019-07-03
CN-114080379-A Hydrogenation of esters to alcohols in the presence of Ru-PNN complexes 2019-07-03
WO-2020152200-A1 Process for preparation of heteroarylketones 2019-01-25
WO-2019075004-A1 SYNTHESIS OF BICYCLO [2.2.2] OCTANE DERIVATIVES 2017-10-11
EP-3694831-A1 Synthesis of bicyclo[2.2.2]octane derivatives 2017-10-11
US-2020270191-A1 Synthesis of bicyclo[2.2.2]octane derivatives 2017-10-11
WO-2018130011-A1 Hydroformylation method and catalyst using rhodium-ruthenium bimetal and quadridentate phosphine ligand 2017-01-12
WO-2018103536-A1 Reaction method and catalyst for internal olefin isomerization and hydroformylation 2016-12-08
EP-3256250-A1 Phenanthroline based pincer complexes useful as catalysts for the preparation of methanol from carbondioxide 2015-02-10
EP-3256250-B1 Phenanthroline based pincer complexes useful as catalysts for the preparation of methanol from carbondioxide 2015-02-10
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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