Products Categories
CAS No.: | 2050-22-8 |
---|---|
Name: | Diethyl pyridine-2,3-dicarboxylate |
Article Data: | 19 |
Molecular Structure: | |
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 |
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% |
2,3-dichloro-pyridine
ethanol
carbon monoxide
2,3-diethyl pyridinedicarboxylate
Conditions | Yield |
---|---|
With 1,1'-bis-(diphenylphosphino)ferrocene; sodium acetate; palladium diacetate at 160℃; under 11250.9 Torr; for 3h; Carboxylation; | 85% |
acetylenedicarboxylic acid diethyl ester
Propargylamine
2,3-diethyl pyridinedicarboxylate
Conditions | Yield |
---|---|
With dihydrogen peroxide In ethanol at 65℃; for 12h; Temperature; | 82% |
diethyl 2-aminofumarate
2,3-diethyl pyridinedicarboxylate
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In butan-1-ol | 72.3% |
diethyl 2-aminofumarate
2,3-diethyl pyridinedicarboxylate
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In butan-1-ol | 72.3% |
2,3-diethyl pyridinedicarboxylate
Conditions | Yield |
---|---|
In nitrobenzene at 190℃; for 5h; Green chemistry; | 56% |
Conditions | Yield |
---|---|
With hydrogenchloride; toluene-4-sulfonic acid In EtOAC; ethanol |
oxalyl dichloride
ethyl vinyl ether
N,N-dimethyl-formamide
diethyl oxaloacetate
2,3-diethyl pyridinedicarboxylate
Conditions | Yield |
---|---|
With hydrogenchloride; acetic acid; triethylamine In ethanol; water; 1,2-dichloro-ethane |
2,3-pyridinedicarboxylic acid chloride
ethanol
2,3-diethyl pyridinedicarboxylate
Conditions | Yield |
---|---|
for 1h; Reflux; |
What can I do for you?
Get Best Price
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