CAS No.2050-22-8,Diethyl pyridine-2,3-dicarboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2050-22-8
Name:	Diethyl pyridine-2,3-dicarboxylate
Article Data:	19

Formula:	C₁₁H₁₃NO₄
Molecular Weight:	223.229
Synonyms:	2,3-Pyridinedicarboxylicacid, diethyl ester (6CI,8CI,9CI);Diethyl 2,3-pyridinedicarboxylate;Diethylquinolinate;Quinolinic acid diethyl ester;
Density:	1.165 g/cm³
Boiling Point:	295.8 °C at 760 mmHg
Flash Point:	132.7 °C
Hazard Symbols:	Xi
PSA:	65.49000
LogP:	1.43500

Synthetic route

: 89-00-9
Pyridine-2,3-dicarboxylic acid

: 64-17-5
ethanol

: 2050-22-8
2,3-diethyl pyridinedicarboxylate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid at 100℃; for 120h;	91.8%
With sulfuric acid at 100℃; for 12h; Sealed tube;	90%
With sulfuric acid at 19℃; for 17.5h; Fischer esterification; Reflux; Inert atmosphere; Large scale reaction;	78%

: 2402-77-9
2,3-dichloro-pyridine

: 64-17-5
ethanol

: 201230-82-2
carbon monoxide

: 2050-22-8
2,3-diethyl pyridinedicarboxylate

Conditions

Conditions	Yield
With 1,1'-bis-(diphenylphosphino)ferrocene; sodium acetate; palladium diacetate at 160℃; under 11250.9 Torr; for 3h; Carboxylation;	85%

...Expand

: 762-21-0
acetylenedicarboxylic acid diethyl ester

: 2450-71-7
Propargylamine

: 2050-22-8
2,3-diethyl pyridinedicarboxylate

Conditions

Conditions	Yield
With dihydrogen peroxide In ethanol at 65℃; for 12h; Temperature;	82%

aminodiester: aminodiester

acrolein monomer: acrolein monomer

: 36016-13-4
diethyl 2-aminofumarate

: 2050-22-8
2,3-diethyl pyridinedicarboxylate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In butan-1-ol	72.3%

...Expand

acrolein monomer: acrolein monomer

: 36016-13-4
diethyl 2-aminofumarate

: 2050-22-8
2,3-diethyl pyridinedicarboxylate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In butan-1-ol	72.3%

: C11H15NO4

: 2050-22-8
2,3-diethyl pyridinedicarboxylate

Conditions

Conditions	Yield
In nitrobenzene at 190℃; for 5h; Green chemistry;	56%

: 64-17-5
ethanol

quinolinic acid α-ethyl ester-β chloride: quinolinic acid α-ethyl ester-β chloride

: 2050-22-8
2,3-diethyl pyridinedicarboxylate

ethanolic HCl: ethanolic HCl

: 89-00-9
Pyridine-2,3-dicarboxylic acid

: 2050-22-8
2,3-diethyl pyridinedicarboxylate

Conditions

Conditions	Yield
With hydrogenchloride; toluene-4-sulfonic acid In EtOAC; ethanol

: 79-37-8
oxalyl dichloride

concentrated NH4 OH: concentrated NH4 OH

NH4 OCOCH3: NH4 OCOCH3

: 109-92-2
ethyl vinyl ether

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

: 108-56-5
diethyl oxaloacetate

: 2050-22-8
2,3-diethyl pyridinedicarboxylate

Conditions

Conditions	Yield
With hydrogenchloride; acetic acid; triethylamine In ethanol; water; 1,2-dichloro-ethane

...Expand

: 55155-23-2
2,3-pyridinedicarboxylic acid chloride

: 64-17-5
ethanol

: 2050-22-8
2,3-diethyl pyridinedicarboxylate

Conditions

Conditions	Yield
for 1h; Reflux;

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Specification

The Diethyl pyridine-2,3-dicarboxylate, with the CAS registry number 2050-22-8, is also called 2,3-pyridinedicarboxylic acid, diethyl ester. And the molecular formula of the chemical is C₁₁H₁₃NO₄.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.19; (4)ACD/LogD (pH 7.4): 1.19; (5)ACD/BCF (pH 5.5): 4.69; (6)ACD/BCF (pH 7.4): 4.69; (7)ACD/KOC (pH 5.5): 105.27; (8)ACD/KOC (pH 7.4): 105.27; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 65.49 Å²; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 57.15 cm³; (15)Molar Volume: 191.4 cm³; (16)Polarizability: 22.65×10^-24cm³; (17)Surface Tension: 43.1 dyne/cm; (18)Density: 1.165 g/cm³; (19)Flash Point: 132.7 °C; (20)Enthalpy of Vaporization: 53.56 kJ/mol; (21)Boiling Point: 295.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00149 mmHg at 25°C.

Preparation of Diethyl pyridine-2,3-dicarboxylate: This chemical can be prepared by pyridine-2,3-dicarboxylic acid and ethanol. The reaction will need reagent conc. H₂SO₄, and the menstruum benzene. The reaction time is 16 hours with heating, and the yield is about 70%.

Uses of Diethyl pyridine-2,3-dicarboxylate: It can react with 2-formyl-nicotinic acid ethyl ester to produce pyridine-2,3-dicarbaldehyde. This reaction will need reagent diisobutyl aluminum hydride, and the menstruum hexane and toluene. The reaction time is 20 minutes with temperature of -70°C, and the yield is about 16.5%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCC)c1ncccc1C(=O)OCC
(2)InChI: InChI=1/C11H13NO4/c1-3-15-10(13)8-6-5-7-12-9(8)11(14)16-4-2/h5-7H,3-4H2,1-2H3
(3)InChIKey: LIVYVINPLCASPD-UHFFFAOYAH