Diethyl Pyridine-2,3-dicarboxylate - CAS 2050-22-8

Catalog:	BB016013
Product Name:	Diethyl Pyridine-2,3-dicarboxylate
CAS:	2050-22-8
Synonyms:	pyridine-2,3-dicarboxylic acid diethyl ester; diethyl pyridine-2,3-dicarboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	diethyl pyridine-2,3-dicarboxylate
Description:	Diethyl Pyridine-2,3-dicarboxylate (CAS# 2050-22-8) is a useful reagent in preparation of herbicides.
Molecular Weight:	223.23
Molecular Formula:	C11H13NO4
Canonical SMILES:	CCOC(=O)C1=C(N=CC=C1)C(=O)OCC
InChI:	InChI=1S/C11H13NO4/c1-3-15-10(13)8-6-5-7-12-9(8)11(14)16-4-2/h5-7H,3-4H2,1-2H3
InChI Key:	LIVYVINPLCASPD-UHFFFAOYSA-N
Boiling Point:	295.8 ℃ at 760 mmHg
Density:	1.165 g/cm³
MDL:	MFCD08689697
LogP:	1.43500

Publication Number	Title	Priority Date
US-2021188890-A1	Selective valorization of biomass sugars	20191219
WO-2021127642-A1	Selective valorization of biomass sugars	20191219
CN-112142729-A	Mefenapyr intermediate and preparation method and application thereof	20190628
CN-112142714-A	Synthetic method of imazapyr	20190627
WO-2020157271-A2	Cosmetic composition comprising active agents for combating hair loss, thickening polymers, nonionic surfactants and propellants, and cosmetic treatment process	20190131

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Complexity:	254
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.0844579
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	223.0844579
Rotatable Bond Count:	6
Topological Polar Surface Area:	65.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6