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| CAS No.: | 41438-38-4 |
|---|---|
| Name: | 2,4-DIETHYLPYRIDINE DICARBOXYLATE |
| Article Data: | 16 |
| Molecular Structure: | |
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|
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| Formula: | C11H13NO4 |
| Molecular Weight: | 223.229 |
| Synonyms: | 2,4-Pyridinedicarboxylicacid, diethyl ester (7CI,9CI);Diethyl 2,4-pyridinedicarboxylate;Diethyllutidinate; |
| Density: | 1.166 g/cm3 |
| Melting Point: | 31 °C |
| Boiling Point: | 330.9 °C at 760 mmHg |
| Flash Point: | 153.9 °C |
| Appearance: | Liquid. |
| PSA: | 65.49000 |
| LogP: | 1.43500 |
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- 852475-26-4MC1568
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| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid for 24h; Heating; | 100% |
| With toluene-4-sulfonic acid In toluene at 110℃; | 88% |
| Stage #1: ethanol With thionyl chloride at 0℃; for 0.5h; Inert atmosphere; Stage #2: pyridine-2,4-dicarboxylic acid In ethanol for 3h; Inert atmosphere; Reflux; | 82% |
- 110-86-1
pyridine
- 617-35-6
2-oxo-propionic acid ethyl ester
A
- 2524-52-9
ethyl-2-picolinate
B
- 1570-45-2
isonicotinic acid ethylester
C
- 41438-38-4
diethyl pyridine-2,4-dicarboxylate
| Conditions | Yield |
|---|---|
| With sulfuric acid; dihydrogen peroxide; iron(II) sulfate In dichloromethane; water at -10 - 0℃; for 0.25h; Product distribution; Variation of mole ratio of the base and the peroxide.; | A 28 % Chromat. B 4 % Chromat. C 37 % Chromat. |
- 499-80-9
pyridine-2,4-dicarboxylic acid
- 41438-38-4
diethyl pyridine-2,4-dicarboxylate
| Conditions | Yield |
|---|---|
| With sulfuric acid In ethanol at 70℃; for 14h; | 6 g |
- 121-44-8
triethylamine
A
- 41438-38-4
diethyl pyridine-2,4-dicarboxylate
B
- 554-68-7
triethylamine hydrochloride
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at -10 - 22℃; Large scale; |
- 41438-38-4
diethyl pyridine-2,4-dicarboxylate
| Conditions | Yield |
|---|---|
| Stage #1: diethyl pyridine-2,4-dicarboxylate With sodium tetrahydroborate In ethanol at 5℃; Stage #2: With calcium chloride In ethanol | 91% |
| With sodium tetrahydroborate; calcium chloride In ethanol at -10 - -5℃; for 2.5h; | 69% |
| With sodium tetrahydroborate; calcium chloride at -15 - 0℃; | |
| With sodium tetrahydroborate; calcium chloride In ethanol at 0℃; |
- 41438-38-4
diethyl pyridine-2,4-dicarboxylate
- 765-30-0
Cyclopropylamine
- 1353657-39-2
ethyl 2-(cyclopropylcarbamoyl)pyridine-4-carboxylate
| Conditions | Yield |
|---|---|
| With magnesium chloride In ethanol at 0 - 20℃; for 48h; | 91% |
- 41438-38-4
diethyl pyridine-2,4-dicarboxylate
- 20857-17-4
2,4-diacetylpyridine
| Conditions | Yield |
|---|---|
| Stage #1: diethyl pyridine-2,4-dicarboxylate With sodium ethanolate In ethyl acetate at 70 - 80℃; for 2h; Stage #2: With hydrogenchloride In ethyl acetate for 4h; Heating; | 88% |
- 41438-38-4
diethyl pyridine-2,4-dicarboxylate
- 21071-04-5
2,4-Bis(hydroxymethyl)pyridin
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate In ethanol at 20℃; for 72h; | 82% |
- 41438-38-4
diethyl pyridine-2,4-dicarboxylate
- 21908-08-7
ethyl 2-formylpyridine-4-carboxylate
| Conditions | Yield |
|---|---|
| Stage #1: diethyl pyridine-2,4-dicarboxylate With diisobutylaluminium hydride In tetrahydrofuran at -78℃; for 3h; Stage #2: With acetic acid In tetrahydrofuran; water at 20℃; for 1.5h; | 81% |
| With diisobutylaluminium hydride In tetrahydrofuran; ethyl acetate; toluene at -40℃; Temperature; Solvent; Large scale; regioselective reaction; | 67% |
| With diisobutylaluminium hydride In tetrahydrofuran; toluene at -78℃; for 3.16667h; Inert atmosphere; regioselective reaction; | 39% |
| With lithium aluminium tetrahydride In tetrahydrofuran at -60℃; for 1.33333h; | |
| Stage #1: diethyl pyridine-2,4-dicarboxylate With diisobutylaluminium hydride In tetrahydrofuran at -78 - 78℃; for 3h; Stage #2: In tetrahydrofuran; water at 20℃; for 1h; Cooling with ethanol-dry ice; | 1.6 g |
- 41438-38-4
diethyl pyridine-2,4-dicarboxylate
- 108-47-4
2,4-lutidine
| Conditions | Yield |
|---|---|
| With sulfuric acid; titanium(IV) oxide at 20 - 30℃; for 10h; Electrochemical reaction; | 75% |
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Specification
The 2,4-Pyridinedicarboxylicacid, 2,4-diethyl ester, with the CAS registry number 41438-38-4, is also known as Diethyl-2,4-pdc. It belongs to the product category of Pyridines, Pyrimidines, Purines and Pteredines. This chemical's molecular formula is C11H13NO4 and molecular weight is 223.2252. Its IUPAC name is called diethyl pyridine-2,4-dicarboxylate.
Physical properties of 2,4-Pyridinedicarboxylicacid, 2,4-diethyl ester: (1)ACD/LogP: 2.00; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 19.49; (5)ACD/BCF (pH 7.4): 19.49; (6)ACD/KOC (pH 5.5): 291.68; (7)ACD/KOC (pH 7.4): 291.68; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 6; (10)Index of Refraction: 1.508; (11)Molar Refractivity: 57.15 cm3; (12)Molar Volume: 191.4 cm3; (13)Surface Tension: 43.1 dyne/cm; (14)Density: 1.165 g/cm3; (15)Flash Point: 153.9 °C; (16)Enthalpy of Vaporization: 57.35 kJ/mol; (17)Boiling Point: 330.9 °C at 760 mmHg; (18)Vapour Pressure: 0.000162 mmHg at 25°C.
Uses of 2,4-Pyridinedicarboxylicacid, 2,4-diethyl ester: it can be used to produce 2,4-dimethyl-pyridine at temperature of 20 - 30 °C. This reaction will need reagent TiO2, 35 percent aq. H2SO4 with reaction time of 10 hours. The yield is about 75%.
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You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1nccc(C(=O)OCC)c1
(2)InChI: InChI=1/C11H13NO4/c1-3-15-10(13)8-5-6-12-9(7-8)11(14)16-4-2/h5-7H,3-4H2,1-2H3
(3)InChIKey: MUUDQLHCIAOWPR-UHFFFAOYAM