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| CAS No.: | 66171-50-4 |
|---|---|
| Name: | METHYL 6-OXO-1,6-DIHYDRO-3-PYRIDINECARBOXYLATE |
| Article Data: | 36 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H7 N O3 |
| Molecular Weight: | 153.137 |
| Synonyms: | Nicotinicacid, 1,6-dihydro-6-oxo-, methyl ester (6CI);5-(Methoxycarbonyl)-2(1H)-pyridinone; 5-Methoxycarbonyl-2(1H)-pyridone;5-Methoxycarbonyl-2-pyridone; 6-Hydroxynicotinic acid methyl ester; Methyl2-hydroxy-5-pyridinecarboxylate; Methyl 6-hydroxy-3-pyridinecarboxylate; Methyl6-hydroxynicotinate; Methyl 6-oxo-1,6-dihydropyridine-3-carboxylate; Methylpyridin-2-one-5-carboxylate; NSC 78315 |
| Density: | 1.263 g/cm3 |
| Melting Point: | 166-170°C |
| Boiling Point: | 342.4 °C at 760 mmHg |
| Flash Point: | 160.9 °C |
| Hazard Symbols: | Xi |
| PSA: | 59.16000 |
| LogP: | 0.16150 |
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- 99170-93-1N-Methyl-2-oxazolamine
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| Conditions | Yield |
|---|---|
| With sulfuric acid at 65 - 70℃; for 3h; | 99% |
| With sulfuric acid for 18h; Reflux; | 85% |
| With sulfuric acid In water at 20℃; for 20h; Reflux; | 82% |
- 5006-66-6
6-hydroxy-3-pyridinecarboxylic acid
- 18107-18-1
diazomethyl-trimethyl-silane
- 66171-50-4
methyl 6-hydroxynicotinate
| Conditions | Yield |
|---|---|
| In methanol; hexane; benzene for 2h; Ambient temperature; | 95% |
| In methanol; hexane; benzene | 95% |
| In methanol; benzene for 2h; Ambient temperature; | 91% |
| In methanol; benzene at 20℃; for 4.08333h; Product distribution / selectivity; | 84.9% |
- 5006-66-6
6-hydroxy-3-pyridinecarboxylic acid
A
- 66171-50-4
methyl 6-hydroxynicotinate
| Conditions | Yield |
|---|---|
| With sulfuric acid In methanol; dichloromethane | A n/a B 90% |
- 6018-41-3
methyl coumalate
- 66171-50-4
methyl 6-hydroxynicotinate
| Conditions | Yield |
|---|---|
| With 1,8-diazabicyclo[5.4.0]undec-7-ene; 1,1,1,3,3,3-hexamethyl-disilazane In acetonitrile at 20℃; for 48h; Inert atmosphere; Schlenk technique; | 70% |
- 26218-80-4
6-methoxy-nicotinic acid methyl ester
- 66171-50-4
methyl 6-hydroxynicotinate
| Conditions | Yield |
|---|---|
| With hexamethyldisilathiane; sodium methylate In various solvent(s) at 110℃; for 18h; | 40% |
- 5006-66-6
6-hydroxy-3-pyridinecarboxylic acid
- 66171-50-4
methyl 6-hydroxynicotinate
| Conditions | Yield |
|---|---|
| With thionyl chloride behandeln des Produkts mit Methylalkohol; | |
| With sulfuric acid In methanol | |
| With hydrogenchloride In water |
- 5006-66-6
6-hydroxy-3-pyridinecarboxylic acid
- 79-37-8
oxalyl dichloride
- 66171-50-4
methyl 6-hydroxynicotinate
| Conditions | Yield |
|---|---|
| In dichloromethane; ethyl acetate; N,N-dimethyl-formamide | 2.74 g (25%) |
- 13466-38-1
5-bromopyridin-2-ol
- 67-56-1
methanol
- 201230-82-2
carbon monoxide
- 66171-50-4
methyl 6-hydroxynicotinate
| Conditions | Yield |
|---|---|
| With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine at 100℃; under 3750.38 Torr; for 90h; Autoclave; Large scale; | 24 kg |
- 66171-50-4
methyl 6-hydroxynicotinate
- 381247-99-0
methyl 5-bromo-6-hydroxypyridine-3-carboxylate
| Conditions | Yield |
|---|---|
| Stage #1: methyl 6-hydroxynicotinate With bromine; acetic acid at 60℃; Stage #2: With sodium hydrogencarbonate; sodium hydroxide at 18 - 26℃; pH=~ 7; | 100% |
- 66171-50-4
methyl 6-hydroxynicotinate
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide at 35℃; for 3h; | 99% |
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Chemistry
Empirical Formula: C7H7NO3
Molecular Weight: 153.1354g/mol
Structure of 3-Pyridinecarboxylicacid, 1,6-dihydro-6-oxo-, methyl ester (CAS NO.66171-50-4):
Index of Refraction: 1.517
Molar Refractivity: 36.69 cm3
Molar Volume: 121.1 cm3
Polarizability: 14.54×10-24cm3
Surface Tension: 43.4 dyne/cm
Density: 1.263 g/cm3
Flash Point: 160.9 °C
Enthalpy of Vaporization: 58.62 kJ/mol
Melting Point: 166-170°C
Boiling Point: 342.4 °C at 760 mmHg
Vapour Pressure: 7.53E-05 mmHg at 25°C
Product Categories: CARBOXYLICESTER;blocks;Carboxes;Pyridines;Esters
Systematic Name: methyl 6-oxo-1,6-dihydropyridine-3-carboxylate
SMILES: O=C(OC)/C1=C/NC(=O)/C=C1
InChI: InChI=1/C7H7NO3/c1-11-7(10)5-2-3-6(9)8-4-5/h2-4H,1H3,(H,8,9)
InChIKey: JTVVPKLHKMKWNN-UHFFFAOYAE
Safety Profile
Hazard Codes: 
Xi
Hazard Note: Irritant/Keep Cold
HazardClass: IRRITANT
Specification
3-Pyridinecarboxylicacid, 1,6-dihydro-6-oxo-, methyl ester , its cas register number is 66171-50-4. It also can be called
Methyl 6-Hydroxynicotinate ; Methyl 6-oxo-1,6-dihydropyridine-3-carboxylate ; 6-Hydroxynicotinic acid methyl ester ;
Methyl 2-hydroxy-5-pyridinecarboxylate ; Methyl 6-hydroxynicotinate 98% ; Methyl 6-hydroxypyridine-3-carboxylate, Methyl 1,6-dihydro-6-oxopyridine-3-carboxylate ; Methyl 6-oxo-1,6-dihydro-3-pyridinecarboxylate . The storage environment of 3-Pyridinecarboxylicacid, 1,6-dihydro-6-oxo-, methyl ester (CAS NO.66171-50-4) should be cold.