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36052-24-1

Basic Information
CAS No.: 36052-24-1
Name: Methyl 6-aminonicotinate
Article Data: 30
Molecular Structure:
Molecular Structure of 36052-24-1 (Methyl 6-aminonicotinate)
Formula: C7H8N2O2
Molecular Weight: 152.153
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;
EINECS: 629-051-2
Density: 1.238 g/cm3
Melting Point: 158-162 °C(lit.)
Boiling Point: 304.5 °C at 760 mmHg
Flash Point: 137.9 °C
Appearance: off-white solid
Hazard Symbols: IrritantXi, HarmfulXn
Risk Codes: 36/37/38-20/21/22
Safety: 26-36-36/37
Transport Information: UN 2811
PSA: 65.21000
LogP: 1.03160
Synthetic route
67-56-1

methanol

3167-49-5

6-aminonicotinic acid

36052-24-1

methyl 6-aminonicotinoate

Conditions
ConditionsYield
With hydrogenchloride for 18h; Reflux;98%
With thionyl chloride at 80℃; for 12h; Inert atmosphere;89%
With sulfuric acid at 0 - 80℃;81.5%
3167-49-5

6-aminonicotinic acid

18107-18-1

diazomethyl-trimethyl-silane

36052-24-1

methyl 6-aminonicotinoate

Conditions
ConditionsYield
In methanol; chloroform; cyclohexane at 20℃; for 1h;66%
With acetic acid In methanol; chloroform
21550-48-1

6-(acetylamino)pyridine-3-carboxylic acid

36052-24-1

methyl 6-aminonicotinoate

Conditions
ConditionsYield
With hydrogenchloride; methanol
1603-41-4

(5-methyl-pyridin-2-yl)amine

36052-24-1

methyl 6-aminonicotinoate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: acetic acid
2: aqueous KMnO4
3: methanol; HCl
View Scheme
4931-47-9

N-(5-methylpyridin-2-yl)acetamide

36052-24-1

methyl 6-aminonicotinoate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: aqueous KMnO4
2: methanol; HCl
View Scheme
3167-49-5

6-aminonicotinic acid

36052-24-1

methyl 6-aminonicotinoate

Conditions
ConditionsYield
With hydrogenchloride In methanol; water
With sulfuric acid In methanol; water-EtOAc
With thionyl chloride In methanol; water
3167-49-5

6-aminonicotinic acid

MeOH-HCl

MeOH-HCl

36052-24-1

methyl 6-aminonicotinoate

Conditions
ConditionsYield
In hydrogenchloride; methanol; water
3167-49-5

6-aminonicotinic acid

MeOH-HCl

MeOH-HCl

36052-24-1

methyl 6-aminonicotinoate

Conditions
ConditionsYield
In hydrogenchloride; methanol; water
In hydrogenchloride; methanol; water
In hydrogenchloride; methanol; water
In hydrogenchloride; methanol; water
In hydrogenchloride; methanol; water
3167-49-5

6-aminonicotinic acid

7664-93-9

sulfuric acid

36052-24-1

methyl 6-aminonicotinoate

Conditions
ConditionsYield
In methanol
36052-24-1

methyl 6-aminonicotinoate

24424-99-5

di-tert-butyl dicarbonate

144186-11-8

methyl 6-<(tert-butyloxycarbonyl)amino>nicotinoate

Conditions
ConditionsYield
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%
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Chemistry

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/cm
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

Uses

 6-Aminonicotinic acid methyl ester (CAS NO.36052-24-1) is used in ointments for treatment of psoriasis.

Safety Profile

Hazard Codes: IrritantXi, HarmfulXn
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

Specification

 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.