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Name |
Methyl 6-aminonicotinate |
EINECS | 629-051-2 |
CAS No. | 36052-24-1 | Density | 1.238 g/cm3 |
PSA | 65.21000 | LogP | 1.03160 |
Solubility | N/A | Melting Point |
158-162 °C(lit.) |
Formula | C7H8N2O2 | Boiling Point | 304.5 °C at 760 mmHg |
Molecular Weight | 152.153 | Flash Point | 137.9 °C |
Transport Information | UN 2811 | Appearance | off-white solid |
Safety | 26-36-36/37 | Risk Codes | 36/37/38-20/21/22 |
Molecular Structure | Hazard Symbols | Xi, Xn | |
Synonyms |
Nicotinicacid, 6-amino-, methyl ester (6CI,8CI);2-Amino-5-(methoxycarbonyl)pyridine;3-Pyridinecarboxylicacid, 6-amino-, methyl ester;6-Aminopyridine-3-carboxylic acid methylester;Methyl 2-aminopyridine-5-carboxylate;6-Aminonicotinic acid methyl ester;Methyl6-aminopyridine-3-carboxylate; |
Article Data | 30 |
Conditions | Yield |
---|---|
With hydrogenchloride for 18h; Reflux; | 98% |
With thionyl chloride at 80℃; for 12h; Inert atmosphere; | 89% |
With sulfuric acid at 0 - 80℃; | 81.5% |
6-aminonicotinic acid
diazomethyl-trimethyl-silane
methyl 6-aminonicotinoate
Conditions | Yield |
---|---|
In methanol; chloroform; cyclohexane at 20℃; for 1h; | 66% |
With acetic acid In methanol; chloroform |
6-(acetylamino)pyridine-3-carboxylic acid
methyl 6-aminonicotinoate
Conditions | Yield |
---|---|
With hydrogenchloride; methanol |
(5-methyl-pyridin-2-yl)amine
methyl 6-aminonicotinoate
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: acetic acid 2: aqueous KMnO4 3: methanol; HCl View Scheme |
N-(5-methylpyridin-2-yl)acetamide
methyl 6-aminonicotinoate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: aqueous KMnO4 2: methanol; HCl View Scheme |
6-aminonicotinic acid
methyl 6-aminonicotinoate
Conditions | Yield |
---|---|
With hydrogenchloride In methanol; water | |
With sulfuric acid In methanol; water-EtOAc | |
With thionyl chloride In methanol; water |
Conditions | Yield |
---|---|
In hydrogenchloride; methanol; water |
Conditions | Yield |
---|---|
In hydrogenchloride; methanol; water | |
In hydrogenchloride; methanol; water | |
In hydrogenchloride; methanol; water | |
In hydrogenchloride; methanol; water | |
In hydrogenchloride; methanol; water |
Conditions | Yield |
---|---|
In methanol |
methyl 6-aminonicotinoate
di-tert-butyl dicarbonate
methyl 6-<(tert-butyloxycarbonyl)amino>nicotinoate
Conditions | Yield |
---|---|
With dmap In tetrahydrofuran at 20℃; | 100% |
With dmap In acetonitrile for 4h; Ambient temperature; | 79% |
With dmap In acetone; tert-butyl alcohol for 20h; | 78% |
The molecular structure of 6-Aminonicotinic acid methyl ester (CAS NO.36052-24-1):
IUPAC Name: Methyl 6-aminopyridine-3-carboxylate
Molecular Weight: 152.15062 g/mol
Molecular Formula: C7H8N2O2
Density: 1.238 g/cm3
Melting Point: 158-162 °C(lit.)
Boiling Point: 304.5 °C at 760 mmHg
Flash Point: 137.9 °C
Index of Refraction: 1.57
Molar Refractivity: 40.35 cm3
Molar Volume: 122.8 cm3
Surface Tension: 53.4 dyne/cm
Enthalpy of Vaporization: 54.48 kJ/mol
Vapour Pressure: 0.000872 mmHg at 25 °C
XLogP3: 1.7
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 2
Tautomer Count: 4
Exact Mass: 152.058578
MonoIsotopic Mass: 152.058578
Topological Polar Surface Area 65.2
Heavy Atom Count 11
Canonical SMILES: COC(=O)C1=CN=C(C=C1)N
InChI: InChI=1S/C7H8N2O2/c1-11-7(10)5-2-3-6(8)9-4-5/h2-4H,1H3,(H2,8,9)
InChIKey: JACPDLJUQLKABC-UHFFFAOYSA-N
Product Categories: Amines; blocks; Carboxes; Pyridines; pharmacetical; Esters; Heterocycles; Heterocyclic Building Blocks
6-Aminonicotinic acid methyl ester (CAS NO.36052-24-1) is used in ointments for treatment of psoriasis.
Hazard Codes: Xi, Xn
Risk Statements: 36/37/38-20/21/22
R36/37/38:Irritating to eyes, respiratory system and skin.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36-36/37
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S36/37:Wear suitable protective clothing and gloves.
RIDADR: 2811
WGK Germany: 3
Hazard Note: Irritant
HazardClass: IRRITANT
6-Aminonicotinic acid methyl ester (CAS NO.36052-24-1) is also named as 3-Pyridinecarboxylic acid, 6-amino-, methyl ester ; 6-Amino-nicotinic acid methyl ester ; Methyl 6-aminonicotinate ; Methyl 2-amino-5-pyridinecarboxylate ; Methyl 2-aminopyridine-5-carboxylate ; Methyl 6-Aminopyridine-3-carboxylate . 6-Aminonicotinic acid methyl ester (CAS NO.36052-24-1) is off-white solid.