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5-Methylnicotinic acid

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Name

5-Methylnicotinic acid

EINECS -0
CAS No. 3222-49-9 Density 1.23 g/cm3
PSA 50.19000 LogP 1.08820
Solubility N/A Melting Point 210-212 °C
Formula C7H7NO2 Boiling Point 303.9 °C at 760 mmHg
Molecular Weight 137.138 Flash Point 137.6 °C
Transport Information N/A Appearance white crystalline powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 3222-49-9 (5-Methylnicotinic acid) Hazard Symbols IrritantXi
Synonyms

5-Methylpyridine-3-carboxylic acid;3-Pyridinecarboxylic acid, 5-methyl-;

Article Data 13

5-Methylnicotinic acid Synthetic route

42972-46-3

1-(5-methylpyridin-3-yl)ethanone

3222-49-9

5-methylnicotinic acid

Conditions
ConditionsYield
With sodium hydroxide; bromine In water Ambient temperature;61%
591-22-0

3,5-Lutidine

3222-49-9

5-methylnicotinic acid

Conditions
ConditionsYield
With potassium permanganate In water at 25 - 45℃; for 20h;59.4%
With potassium permanganate In water at 45℃;46%
With potassium permanganate at 45℃; for 20h;41%
With potassium permanganate In water; acetone at 70℃; for 2h; Title compound not separated from byproducts;
591-22-0

3,5-Lutidine

A

3222-49-9

5-methylnicotinic acid

B

499-81-0

3,5-Pyridinedicarboxylic acid

Conditions
ConditionsYield
With potassium permanganate In water 1.) from RT to 43 deg C, 5 h, 2.) 45 deg C, overnight;A 27%
B n/a
612-58-8

3-methylquinoline

3222-49-9

5-methylnicotinic acid

Conditions
ConditionsYield
With potassium permanganate Erhitzen des Reaktionsprodukts im Hochvakuum;
112945-08-1

3-methyl-5-pentyl-pyridine

3222-49-9

5-methylnicotinic acid

Conditions
ConditionsYield
With potassium permanganate
3-methyl-pyridine-dicarboxylic acid-(2.5)

3-methyl-pyridine-dicarboxylic acid-(2.5)

3222-49-9

5-methylnicotinic acid

Conditions
ConditionsYield
With acetic anhydride; acetic acid at 225℃;
5-methyl-pyridine-dicarboxylic acid-(2.3)

5-methyl-pyridine-dicarboxylic acid-(2.3)

3222-49-9

5-methylnicotinic acid

Conditions
ConditionsYield
With acetic anhydride; acetic acid at 225℃;
612-58-8

3-methylquinoline

permanganate

permanganate

A

3222-49-9

5-methylnicotinic acid

B

53636-65-0

5-methyl-pyridine-2,3-dicarboxylic acid

67-56-1

methanol

3222-49-9

5-methylnicotinic acid

29681-45-6

5-methylnicotinic acid methyl ester

Conditions
ConditionsYield
With thionyl chloride at 20℃; for 4h; Concentration; Inert atmosphere; Reflux;98.2%
With thionyl chloride at 60 - 65℃; Inert atmosphere;96%
With thionyl chloride at 82℃; for 6.33333h; Temperature; Concentration;96.5%
3222-49-9

5-methylnicotinic acid

100643-71-8

descarboethoxyloratadine

[4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidin-1-yl]-(5-methyl-pyridin-3-yl)-methanone

Conditions
ConditionsYield
With boric acid In toluene Concentration; Reflux;95%
With benzotriazol-1-ol; dicyclohexyl-carbodiimide In N,N-dimethyl-formamide for 18h; Ambient temperature;44%

5-Methylnicotinic acid Specification

The CAS register number of 5-Methylnicotinic acid is 3222-49-9. It also can be called as 3-Pyridinecarboxylic acid, 5-methyl- and the systematic name about this chemical is 5-methylpyridine-3-carboxylic acid. The molecular formula about this chemical is C7H7NO2 and the molecular weight is 137.14. It belongs to the following product categories which include Nitrogen cyclic compounds; Pyridine Series; Pharmacetical; Building Blocks; Pyridine; Pyridines and so on.

Physical properties about 5-Methylnicotinic acid are: (1)ACD/LogP: 0.61; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 39.19Å2; (10)Index of Refraction: 1.561; (11)Molar Refractivity: 36.09 cm3; (12)Molar Volume: 111.4 cm3; (13)Polarizability: 14.31x10-24cm3; (14)Surface Tension: 53.3 dyne/cm; (15)Flash Point: 137.6 °C; (16)Enthalpy of Vaporization: 57.47 kJ/mol; (17)Boiling Point: 303.9 °C at 760 mmHg; (18)Vapour Pressure: 0.000398 mmHg at 25°C.

Preparation: this chemical can be prepared by 3,5-dimethyl-pyridine. This reaction will need reagent KMnO4 and solvent acetone, H2O. The reaction time is 2 hour(s) with reaction temperature of 70 °C.

Uses of 5-Methylnicotinic acid: it can be used to produce 5-methyl-nicotinic acid methyl ester with diazomethane. This reaction will need solvent diethyl ether, methanol. The yield is about 63%.

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 protective clothing. 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)c1cncc(c1)C
(2)InChI: InChI=1/C7H7NO2/c1-5-2-6(7(9)10)4-8-3-5/h2-4H,1H3,(H,9,10)
(3)InChIKey: DJDHHXDFKSLEQY-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C7H7NO2/c1-5-2-6(7(9)10)4-8-3-5/h2-4H,1H3,(H,9,10)
(5)Std. InChIKey: DJDHHXDFKSLEQY-UHFFFAOYSA-N

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