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CAS No.: | 3222-47-7 |
---|---|
Name: | 6-Methylpyridine-3-carboxylic acid |
Article Data: | 31 |
Molecular Structure: | |
Formula: | C7H7NO2 |
Molecular Weight: | 137.138 |
Synonyms: | 6-methylpyridine-3-carboxylate;6-methylpyridine-3-carboxylic acid; |
EINECS: | -0 |
Density: | 1.23 g/cm3 |
Melting Point: | 210-213 °C(lit.) |
Boiling Point: | 296.2 °C at 760 mmHg |
Flash Point: | 132.9 °C |
Solubility: | Sparingly soluble in water. |
Appearance: | White crystalline |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 37/39-26-36 |
PSA: | 50.19000 |
LogP: | 1.08820 |
Conditions | Yield |
---|---|
100% |
Conditions | Yield |
---|---|
With potassium permanganate In water at 80℃; for 0.05h; | 84.2% |
With potassium hydroxide; potassium permanganate In water; acetone at 30℃; for 2h; Title compound not separated from byproducts; |
1-(6-methyl-pyridin-3-yl)-ethanone
6-methylnicotinic acid
Conditions | Yield |
---|---|
With nitric acid for 5h; Heating; | 75.4% |
With nitric acid |
Conditions | Yield |
---|---|
With potassium permanganate In water at 90℃; for 6.2h; | A 14.5% B 70.8% |
With potassium permanganate In water at 80℃; for 1.5h; Product distribution; other pyridines, var. temp.; | A 47.1% B 12.3% |
5-ethyl-2-methyl-pyridine
A
6-methylnicotinic acid
B
5-ethylpyridine-2-carboxylic acid
C
Pyridine-2,5-dicarboxylic acid
Conditions | Yield |
---|---|
With potassium permanganate In water at 90℃; for 0.433333h; | A 57.5% B 3.5% C 18.4% |
With potassium permanganate In water at 80℃; for 0.166667h; | A 42% B 5.4% C 1.6% |
2,5-dimethylpyridine
A
2-carboxy-5-methylpyridine
B
6-methylnicotinic acid
C
Pyridine-2,5-dicarboxylic acid
Conditions | Yield |
---|---|
With potassium permanganate In water at 80℃; for 1.5h; | A 19.1% B 47.1% C 12.3% |
Conditions | Yield |
---|---|
With selenium(IV) oxide; nitric acid | |
With potassium permanganate at 60℃; | |
With potassium permanganate; water | |
With nitric acid; vanadia |
Conditions | Yield |
---|---|
With sulfuric acid |
ethyl 6-methylnicotinate
6-methylnicotinic acid
Conditions | Yield |
---|---|
With potassium hydroxide | |
With hydrogenchloride In water at 80℃; | |
With lithium aluminium tetrahydride In tetrahydrofuran |
Conditions | Yield |
---|---|
Erhitzen auf Siedetemperatur; |
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The 6-Methylnicotinic acid is an organic compound with the formula C7H7NO2. The IUPAC name of this chemical is 6-methylpyridine-3-carboxylic acid. With the CAS registry number 3222-47-7, it is also named as 3-Pyridinecarboxylic acid, 6-methyl-. The product's categories are Acids and Derivatives; Heterocycles; Pharmacetical; Pyridine; Organic Acids. Besides, it is a white crystalline, which should be stored in a cool dry and well-ventilated area away from incompatible substances.
Physical properties about 6-Methylnicotinic acid are: (1)ACD/LogP: 0.61 ; (2)ACD/LogD (pH 5.5): -1.41; (3)ACD/LogD (pH 7.4): -2.43; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 39.19 Å2; (12)Index of Refraction: 1.561; (13)Molar Refractivity: 36.09 cm3; (14)Molar Volume: 111.4 cm3; (15)Polarizability: 14.31×10-24cm3; (16)Surface Tension: 53.3 dyne/cm; (17)Density: 1.23 g/cm3; (18)Flash Point: 132.9 °C; (19)Enthalpy of Vaporization: 56.6 kJ/mol; (20)Boiling Point: 296.2 °C at 760 mmHg; (21)Vapour Pressure: 0.000659 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-(6-methyl-pyridin-3-yl)-ethanone. This reaction will need reagent nitric acid.
Uses of 6-Methylnicotinic acid: it can be used to produce 2-(6-methyl-pyridin-3-yl)-1H-imidazo[4,5-b]pyridine at temperature of 210 °C. It will need reagent polyphosphoric acid with reaction time of 2 hours. The yield is about 98%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cnc(cc1)C
(2)InChI: InChI=1/C7H7NO2/c1-5-2-3-6(4-8-5)7(9)10/h2-4H,1H3,(H,9,10)
(3)InChIKey: RZOKQIPOABEQAM-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C7H7NO2/c1-5-2-3-6(4-8-5)7(9)10/h2-4H,1H3,(H,9,10)
(5)Std. InChIKey: RZOKQIPOABEQAM-UHFFFAOYSA-N