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| CAS No.: | 13602-11-4 |
|---|---|
| Name: | methyl 6-methylpyridine-2-carboxylate |
| Article Data: | 24 |
| Molecular Structure: | |
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| Formula: | C8H9NO2 |
| Molecular Weight: | 151.165 |
| Synonyms: | Picolinicacid, 6-methyl-, methyl ester (7CI,8CI);6-Methylpicolinic acid methyl ester;6-Methylpyridin-2-carboxylic acid methyl ester;6-Methylpyridine-2-carboxylicacid methyl ester;Methyl6-methylpicolinate;NSC 109151; |
| EINECS: | 237-085-0 |
| Density: | 1.105 g/cm3 |
| Melting Point: | 18 °C |
| Boiling Point: | 242.053 °C at 760 mmHg |
| Flash Point: | 100.19 °C |
| PSA: | 39.19000 |
| LogP: | 1.17660 |
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- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 67-56-1
methanol
- 934-60-1
6-methyl-2-pyridinecarboxylic acid
- 13602-11-4
6-methylpicolinic acid methyl ester
| Conditions | Yield |
|---|---|
| Stage #1: methanol In thionyl chloride at -10 - 20℃; for 1h; Stage #2: 6-methyl-2-pyridinecarboxylic acid In thionyl chloride at 80℃; for 5h; Time; | 93% |
| Stage #1: methanol; 6-methyl-2-pyridinecarboxylic acid With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0℃; Stage #2: at 20℃; for 6h; | 92% |
| With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 6h; | 92% |
- 934-60-1
6-methyl-2-pyridinecarboxylic acid
- 18107-18-1
diazomethyl-trimethyl-silane
- 13602-11-4
6-methylpicolinic acid methyl ester
| Conditions | Yield |
|---|---|
| In methanol; diethyl ether; dichloromethane at 20℃; for 0.5h; | 91% |
- 5315-25-3
2-bromo-6-methylpyridine
- 67-56-1
methanol
- 201230-82-2
carbon monoxide
- 13602-11-4
6-methylpicolinic acid methyl ester
| Conditions | Yield |
|---|---|
| With 1,1'-bis-(diphenylphosphino)ferrocene; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; triethylamine; palladium diacetate at 65℃; | 60% |
- 186581-53-3, 908094-01-9
diazomethane
- 934-60-1
6-methyl-2-pyridinecarboxylic acid
- 13602-11-4
6-methylpicolinic acid methyl ester
- 67-56-1
methanol
- 13602-11-4
6-methylpicolinic acid methyl ester
| Conditions | Yield |
|---|---|
| With sulfuric acid |
- 67-56-1
methanol
- 126125-54-0
6-methyl-pyridine-2-carbonyl chloride
- 13602-11-4
6-methylpicolinic acid methyl ester
| Conditions | Yield |
|---|---|
| With sodium methylate for 4h; Inert atmosphere; Reflux; |
- 934-60-1
6-methyl-2-pyridinecarboxylic acid
- 13602-11-4
6-methylpicolinic acid methyl ester
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: thionyl chloride / 1 h / Inert atmosphere; Reflux 2: sodium methylate / 4 h / Inert atmosphere; Reflux View Scheme |
- 124-38-9
carbon dioxide
- 13737-10-5
2-methyl-6-(trimethylsilyl)-pyridine
- 74-88-4
methyl iodide
- 13602-11-4
6-methylpicolinic acid methyl ester
| Conditions | Yield |
|---|---|
| With tetrabutylammonium triphenyldifluorosilicate In tetrahydrofuran-d8 at 20℃; under 750.075 Torr; for 18h; Inert atmosphere; Schlenk technique; | > 97 %Spectr. |
- 5315-25-3
2-bromo-6-methylpyridine
- 13602-11-4
6-methylpicolinic acid methyl ester
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: n-butyllithium / diethyl ether; hexane / 1 h / -78 °C / Inert atmosphere; Schlenk technique 1.2: 18 h / -78 - 20 °C / Inert atmosphere; Schlenk technique 2.1: tetrabutylammonium triphenyldifluorosilicate / tetrahydrofuran-d8 / 18 h / 20 °C / 750.08 Torr / Inert atmosphere; Schlenk technique View Scheme |
- 108-48-5
2,6-dimethylpyridine
- 13602-11-4
6-methylpicolinic acid methyl ester
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: potassium permanganate / water-d2 / 5 h / 20 - 60 °C 2.1: thionyl chloride / 1 h / -10 - 20 °C 2.2: 5 h / 80 °C View Scheme |
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Specification
The 2-Pyridinecarboxylicacid, 6-methyl-, methyl ester is an organic compound with the formula C8H9NO2. The IUPAC name of this chemical is methyl 6-methylpyridine-2-carboxylate. With the CAS registry number 13602-11-4, it is also named as 6-Methyl-pyridine-2-carboxylic acid methyl ester. The product's categories are Carboxylicester; Glycinescaffold.
Physical properties about 2-Pyridinecarboxylicacid, 6-methyl-, methyl ester are: (1)ACD/LogP: 1.01; (2)ACD/LogD (pH 5.5): 1.006; (3)ACD/LogD (pH 7.4): 1.007; (4)ACD/BCF (pH 5.5): 3.427; (5)ACD/BCF (pH 7.4): 3.427; (6)ACD/KOC (pH 5.5): 84.032; (7)ACD/KOC (pH 7.4): 84.055; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 39.19 Å2; (11)Index of Refraction: 1.51; (12)Molar Refractivity: 40.942 cm3; (13)Molar Volume: 136.825 cm3; (14)Polarizability: 16.231×10-24cm3; (15)Surface Tension: 39.916 dyne/cm; (16)Density: 1.105 g/cm3; (17)Flash Point: 100.19 °C; (18)Enthalpy of Vaporization: 47.902 kJ/mol; (19)Boiling Point: 242.053 °C at 760 mmHg; (20)Vapour Pressure: 0.035 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cccc(n1)C(=O)OC
(2)InChI: InChI=1/C8H9NO2/c1-6-4-3-5-7(9-6)8(10)11-2/h3-5H,1-2H3
(3)InChIKey: CYWIZMOZBTXFIL-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C8H9NO2/c1-6-4-3-5-7(9-6)8(10)11-2/h3-5H,1-2H3
(5)Std. InChIKey: CYWIZMOZBTXFIL-UHFFFAOYSA-N