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Cas Database

Name	Methyl 6-methyl-2-pyridinecarboxylate	EINECS	237-085-0
CAS No.	13602-11-4	Density	1.105 g/cm³
PSA	39.19000	LogP	1.17660
Solubility	N/A	Melting Point	18 °C
Formula	C₈H₉NO₂	Boiling Point	242.053 °C at 760 mmHg
Molecular Weight	151.165	Flash Point	100.19 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
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;	Article Data	24

Methyl 6-methyl-2-pyridinecarboxylate Synthetic route

: 67-56-1
methanol

: 934-60-1
6-methyl-2-pyridinecarboxylic acid

: 13602-11-4
6-methylpicolinic acid methyl ester

Conditions

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

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

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

6-methyl-picolinic acid: 6-methyl-picolinic acid

: 13602-11-4
6-methylpicolinic acid methyl ester

Conditions

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

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

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

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

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

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

Methyl 6-methyl-2-pyridinecarboxylate 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

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