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Methyl 2-aminonicotinate

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Name

Methyl 2-aminonicotinate

EINECS 681-092-5
CAS No. 14667-47-1 Density 1.238 g/cm3
PSA 65.21000 LogP 1.03160
Solubility N/A Melting Point 84-86 °C
Formula C7H8N2O2 Boiling Point 251.3 °C at 760 mmHg
Molecular Weight 152.153 Flash Point 105.8 °C
Transport Information N/A Appearance N/A
Safety 22-26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 14667-47-1 (Methyl 2-aminonicotinate) Hazard Symbols HarmfulXn
Synonyms

Nicotinicacid, 2-amino-, methyl ester (7CI,8CI);2-Amino-3-methoxycarbonylpyridine;2-Amino-3-pyridinecarboxylic acid methyl ester;2-Aminonicotinic acid methylester;Methyl 2-amino-3-pyridinecarboxylate;NSC522516;

Article Data 31

Methyl 2-aminonicotinate Synthetic route

5345-47-1

2-aminopyridin-3-carboxylic acid

18107-18-1

diazomethyl-trimethyl-silane

14667-47-1

methyl 2-aminonicotinate

Conditions
ConditionsYield
In methanol; toluene at 0℃; for 0.5h;95%
In methanol; diethyl ether; toluene at 0℃; for 0.75h; Inert atmosphere;90%
In methanol; hexane for 0.5h;
5345-47-1

2-aminopyridin-3-carboxylic acid

2-chloro-1,3-dimethyl imidazolium chloride

14667-47-1

methyl 2-aminonicotinate

Conditions
ConditionsYield
With triethylamine In methanol at 20℃; for 1h;94%
67-56-1

methanol

5345-47-1

2-aminopyridin-3-carboxylic acid

14667-47-1

methyl 2-aminonicotinate

Conditions
ConditionsYield
With sulfuric acid at 0 - 60℃; under 760.051 Torr; for 1.5h; Inert atmosphere; Microwave irradiation;93%
With thionyl chloride at 0 - 80℃; for 3h;86%
With sulfuric acid at 80℃; for 7h;63%
5345-47-1

2-aminopyridin-3-carboxylic acid

37091-73-9

2-chloro-1,3-dimethylimidazolinium chloride

14667-47-1

methyl 2-aminonicotinate

Conditions
ConditionsYield
With triethylamine In methanol for 1h; Ambient temperature;84%
5345-47-1

2-aminopyridin-3-carboxylic acid

74-88-4

methyl iodide

14667-47-1

methyl 2-aminonicotinate

Conditions
ConditionsYield
With potassium carbonate In dimethyl sulfoxide at 20℃; for 18h; Reflux;71%
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 18h; Reflux;58%
Stage #1: 2-aminopyridin-3-carboxylic acid With potassium carbonate In N,N-dimethyl-formamide Reflux;
Stage #2: methyl iodide In N,N-dimethyl-formamide at 20℃; for 18h; Reflux;
58%
With potassium carbonate In N,N-dimethyl-formamide for 18h;3.2 g
5345-47-1

2-aminopyridin-3-carboxylic acid

14667-47-1

methyl 2-aminonicotinate

Conditions
ConditionsYield
In methanol; diethyl ether at 0℃;
1462-86-8

3-amino-pyridine-2-carboxylic acid

18107-18-1

diazomethyl-trimethyl-silane

14667-47-1

methyl 2-aminonicotinate

Conditions
ConditionsYield
With methanol In diethyl ether; toluene at 20℃; Inert atmosphere;

C11H14N2O3

14667-47-1

methyl 2-aminonicotinate

Conditions
ConditionsYield
With dodecacarbonyl-triangulo-triruthenium; 5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane; isopropyl alcohol at 140℃; for 24h; Inert atmosphere; Sealed tube;70 %Spectr.
14667-47-1

methyl 2-aminonicotinate

433226-06-3

2-amino-5-bromonicotinic acid ethyl ester

Conditions
ConditionsYield
With bromine; sodium hydrogencarbonate In dichloromethane at 0 - 20℃; for 1h;99%
14667-47-1

methyl 2-aminonicotinate

50735-34-7

methyl 2-amino-5-bromopyridine-3-carboxylate

Conditions
ConditionsYield
With bromine; sodium hydrogencarbonate In dichloromethane at 0 - 20℃; for 1h;99%
With N-Bromosuccinimide In acetonitrile at 0 - 20℃; for 2h;77%

Methyl 2-aminonicotinate Specification

The 3-Pyridinecarboxylicacid, 2-amino-, methyl ester, with the CAS registry number 14667-47-1, has the systematic name and IUPAC name of methyl 2-aminopyridine-3-carboxylate. And the molecular formula of this chemical is C7H8N2O2. It belongs to the following product categories: Pharmacetical; Pyridine series; API intermediates; Pyridine.

The physical properties of 3-Pyridinecarboxylicacid, 2-amino-, methyl ester are as following: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.83; (4)ACD/LogD (pH 7.4): 1.9; (5)ACD/BCF (pH 5.5): 14.05; (6)ACD/BCF (pH 7.4): 16.26; (7)ACD/KOC (pH 5.5): 221.18; (8)ACD/KOC (pH 7.4): 256.07; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.43 Å2; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 40.35 cm3; (15)Molar Volume: 122.8 cm3; (16)Polarizability: 15.99×10-24cm3; (17)Surface Tension: 53.4 dyne/cm; (18)Density: 1.238 g/cm3; (19)Flash Point: 105.8 °C; (20)Enthalpy of Vaporization: 48.86 kJ/mol; (21)Boiling Point: 251.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0206 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Do not breathe dust; Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting 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(OC)c1cccnc1N
(2)InChI: InChI=1/C7H8N2O2/c1-11-7(10)5-3-2-4-9-6(5)8/h2-4H,1H3,(H2,8,9)
(3)InChIKey: NZZDEODTCXHCRS-UHFFFAOYAY

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