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CAS No.: | 3222-49-9 |
---|---|
Name: | 5-Methylnicotinic acid |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C7H7NO2 |
Molecular Weight: | 137.138 |
Synonyms: | 5-Methylpyridine-3-carboxylic acid;3-Pyridinecarboxylic acid, 5-methyl-; |
EINECS: | -0 |
Density: | 1.23 g/cm3 |
Melting Point: | 210-212 °C |
Boiling Point: | 303.9 °C at 760 mmHg |
Flash Point: | 137.6 °C |
Appearance: | white crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 50.19000 |
LogP: | 1.08820 |
1-(5-methylpyridin-3-yl)ethanone
5-methylnicotinic acid
Conditions | Yield |
---|---|
With sodium hydroxide; bromine In water Ambient temperature; | 61% |
Conditions | Yield |
---|---|
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; |
Conditions | Yield |
---|---|
With potassium permanganate In water 1.) from RT to 43 deg C, 5 h, 2.) 45 deg C, overnight; | A 27% B n/a |
Conditions | Yield |
---|---|
With potassium permanganate Erhitzen des Reaktionsprodukts im Hochvakuum; |
3-methyl-5-pentyl-pyridine
5-methylnicotinic acid
Conditions | Yield |
---|---|
With potassium permanganate |
5-methylnicotinic acid
Conditions | Yield |
---|---|
With acetic anhydride; acetic acid at 225℃; |
5-methylnicotinic acid
Conditions | Yield |
---|---|
With acetic anhydride; acetic acid at 225℃; |
3-methylquinoline
water
A
5-methylnicotinic acid
B
5-methyl-pyridine-2,3-dicarboxylic acid
Conditions | Yield |
---|---|
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% |
5-methylnicotinic acid
descarboethoxyloratadine
Conditions | Yield |
---|---|
With boric acid In toluene Concentration; Reflux; | 95% |
With benzotriazol-1-ol; dicyclohexyl-carbodiimide In N,N-dimethyl-formamide for 18h; Ambient temperature; | 44% |
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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