Methyl 2-aminoisonicotinate

Base Information

• Chemical Name: Methyl 2-aminoisonicotinate
• CAS No.: 6937-03-7
• Molecular Formula: C7H8N2O2
• Molecular Weight: 152.153
• Hs Code.: 29333990
• European Community (EC) Number: 627-546-8
• NSC Number: 40138
• DSSTox Substance ID: DTXSID00284984
• Nikkaji Number: J81.302H
• Wikidata: Q72487397
• Mol file: 6937-03-7.mol

Synonyms:methyl 2-aminoisonicotinate;6937-03-7;Methyl 2-aminopyridine-4-carboxylate;2-Aminopyridine-4-carboxylic acid methyl ester;MFCD04039316;methyl 2-azanylpyridine-4-carboxylate;4-PYRIDINECARBOXYLIC ACID, 2-AMINO-, METHYL ESTER;Methyl2-Aminoisonicotinate;2-Aminoisonicotinic Acid Methyl Ester;NSC40138;METHYL-2-AMINOPYRIDINE-4-CARBOXYLATE;2-amino-4-pyridinecarboxylic acid methylester;methyl 2-amino-isonicotinate;SCHEMBL339851;2-AMINO-4-PYRIDINECARBOXYLIC ACID METHYL ESTER;DTXSID00284984;SVWWNEYBEFASMP-UHFFFAOYSA-N;methyl-2-aminopyridin-4-carboxylate;BBL100316;NSC-40138;STL553940;2-amino isonicotinic acid methyl ester;AKOS005259893;2-Amino-isonicotinic acid methyl ester;AC-5439;CS-W003145;HE-0224;HY-W003145;PB29300;SY003259;Methyl 2-aminopyridine-4-carboxylate, 97%;AM20070037;FT-0600587;FT-0660396;M2172;METHYL 2-AMINO-4-PYRIDINECARBOXYLATE;EN300-77679;2-aminopyridin-4-ylcarboxylic acid methyl ester;2-amino-4-pyridine carboxylic acid methyl ester;2-amino-pyridine-4-carboxylic acid methyl ester;A836455;AQ-776/42801237;A1-00671;J-521946;Z1197933353;J9T

Chemical Property of Methyl 2-aminoisonicotinate

Chemical Property:

• Vapor Pressure: 0.00146mmHg at 25°C
• Melting Point: 146-148 °C
• Refractive Index: 1.57
• Boiling Point: 296.1 °C at 760 mmHg
• PKA: 4.89±0.11(Predicted)
• Flash Point: 132.9 °C
• PSA: 65.21000
• Density: 1.238 g/cm³
• LogP: 1.03160
• Storage Temp.: Refrigerator
• Solubility.: Chloroform
• Water Solubility.: Insoluble in water.
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 152.058577502
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl 2-Aminoisonicotinate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-41-20/22
• Safety Statements: 26-36-26/36-39-36/37/39-22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(=O)C1=CC(=NC=C1)N
• Uses: A nitrogen monoxide synthetase inhibitor. Methyl 2-aminopyridine-4-carboxylate is an inhibitor of nitrogen monoxide synthetase.

Technology Process of Methyl 2-aminoisonicotinate

There total 20 articles about Methyl 2-aminoisonicotinate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 93.9%

2-Amino-4-methylpyridine (695-34-1) + methanol (67-56-1) → methyl 2-aminoisonicotinate (6937-03-7)

Guidance literature:

2-Amino-4-methylpyridine; With nitric acid; In water; at 40 ℃; for 4h;

methanol; for 2h; pH=9; Temperature; pH-value; Reflux;

Reference yield: 91.0%

2-chloroethanal (107-20-0) + methyl 2-amino-5-bromo-pyridine-4-carboxylate (882499-87-8) → methyl 2-aminoisonicotinate (6937-03-7)

Guidance literature:

With sodium hydrogencarbonate; In ethanol; for 14h; Heating / reflux;

Reference yield: 89.0%

methanol (67-56-1) + 2-aminoisonicotinic acid (13362-28-2) → methyl 2-aminoisonicotinate (6937-03-7)

Guidance literature:

With thionyl chloride; at 0 - 50 ℃; for 13h; Inert atmosphere;

DOI:10.1016/j.ejmech.2012.06.006

upstream raw materials:

2-Nitro-isonicotinsaeure-methylester

2-(acetylamino)isonicotinic acid

methanol

2-aminoisonicotinic acid

Downstream raw materials:

methyl 2-acetamidoisonicotinate

2-amino-isonicotinamide

methyl 2-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidine-8-carboxylate

6-(2,4-dichloro-phenyl)-imidazo[1,2-a]pyridine-7-carboxylic acid methyl ester

Refernces

• 1、 -. "AMINOPYRIDINE COMPOUNDS AND METHODS FOR THE PREPARATION AND USE THEREOF". Paragraph 0287; 0466; 0477; 0513; 0523; 0555; 0582. . Retrieved 2018/12/02.
• 2、 -. "NOVEL COMPOUND, ORGANIC CATION TRANSPORTER 3 DETECTION AGENT, AND ORGANIC CATION TRANSPORTER 3 ACTIVITY INHIBITOR". Paragraph 0515-0518. . Retrieved 2016/08/17.