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3222-47-7

Basic Information
CAS No.: 3222-47-7
Name: 6-Methylpyridine-3-carboxylic acid
Article Data: 31
Molecular Structure:
Molecular Structure of 3222-47-7 (6-Methylpyridine-3-carboxylic acid)
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: IrritantXi
Risk Codes: 36/37/38
Safety: 37/39-26-36
PSA: 50.19000
LogP: 1.08820
Synthetic route
5470-70-2

Methyl 6-methylnicotinate

3222-47-7

6-methylnicotinic acid

Conditions
ConditionsYield
100%
140-76-1

2-methyl-5-vinylpyridine

3222-47-7

6-methylnicotinic acid

Conditions
ConditionsYield
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;
36357-38-7

1-(6-methyl-pyridin-3-yl)-ethanone

3222-47-7

6-methylnicotinic acid

Conditions
ConditionsYield
With nitric acid for 5h; Heating;75.4%
With nitric acid
589-93-5

2,5-dimethylpyridine

A

3222-47-7

6-methylnicotinic acid

B

100-26-5

Pyridine-2,5-dicarboxylic acid

Conditions
ConditionsYield
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%
104-90-5

5-ethyl-2-methyl-pyridine

A

3222-47-7

6-methylnicotinic acid

B

770-08-1

5-ethylpyridine-2-carboxylic acid

C

100-26-5

Pyridine-2,5-dicarboxylic acid

Conditions
ConditionsYield
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%
589-93-5

2,5-dimethylpyridine

A

4434-13-3

2-carboxy-5-methylpyridine

B

3222-47-7

6-methylnicotinic acid

C

100-26-5

Pyridine-2,5-dicarboxylic acid

Conditions
ConditionsYield
With potassium permanganate In water at 80℃; for 1.5h;A 19.1%
B 47.1%
C 12.3%
104-90-5

5-ethyl-2-methyl-pyridine

3222-47-7

6-methylnicotinic acid

Conditions
ConditionsYield
With selenium(IV) oxide; nitric acid
With potassium permanganate at 60℃;
With potassium permanganate; water
With nitric acid; vanadia
3222-48-8

6-methylnicotinonitrile

3222-47-7

6-methylnicotinic acid

Conditions
ConditionsYield
With sulfuric acid
21684-59-3

ethyl 6-methylnicotinate

3222-47-7

6-methylnicotinic acid

Conditions
ConditionsYield
With potassium hydroxide
With hydrogenchloride In water at 80℃;
With lithium aluminium tetrahydride In tetrahydrofuran
104-90-5

5-ethyl-2-methyl-pyridine

7697-37-2

nitric acid

ammonium vanadate

ammonium vanadate

3222-47-7

6-methylnicotinic acid

Conditions
ConditionsYield
Erhitzen auf Siedetemperatur;
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Standards and Recommendations

Assay of 6-Methylnicotinic acid: 99%

Specification

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