Methyl 3-aminoisonicotinate

Base Information

• Chemical Name: Methyl 3-aminoisonicotinate
• CAS No.: 55279-30-6
• Molecular Formula: C7H8N2O2
• Molecular Weight: 152.153
• Hs Code.: 29333990
• European Community (EC) Number: 689-872-7
• DSSTox Substance ID: DTXSID70363396
• Nikkaji Number: J90.258F
• Wikidata: Q72441571
• ChEMBL ID: CHEMBL1377163
• Mol file: 55279-30-6.mol

Synonyms:methyl 3-aminoisonicotinate;55279-30-6;methyl 3-aminopyridine-4-carboxylate;3-Amino-isonicotinic acid methyl ester;3-Aminoisonicotinic acid methyl ester;MFCD02082535;3-Aminopyridine-4-carboxylic acid methyl ester;Methyl 3-amino-4-pyridinecarboxylate;4-PYRIDINECARBOXYLIC ACID, 3-AMINO-, METHYL ESTER;Methyl3-Aminoisonicotinate;Methyl 3-amino isonicotinate;methyl-3-aminoisonicotinate;MLS000721351;SCHEMBL535568;CHEMBL1377163;DTXSID70363396;HMS2674B17;BCP11525;BBL101251;STL555047;3-aminoisonicotinic acid, methyl ester;AKOS000282123;AC-3576;CS-W002874;PB21166;SB10508;AC-23256;SMR000335431;SY007492;3-amino(38C5,38N)pyridine-4-carboxamide;A8002;AM20070283;FT-0649905;M2653;3-Aminopyridine-4-Carboxylic Acid Methylester;EN300-82306;9M-919;Methyl 3-aminopyridine-4-carboxylate, AldrichCPR;J-522145;Z1201621547

Chemical Property of Methyl 3-aminoisonicotinate

Chemical Property:

• Vapor Pressure: 0.00183mmHg at 25°C
• Melting Point: 84-86 ºC
• Refractive Index: 1.57
• Boiling Point: 292.5 ºC at 760 mmHg
• PKA: 4.05±0.18(Predicted)
• Flash Point: 130.7 ºC
• PSA: 65.21000
• Density: 1.238 g/cm³
• LogP: 1.03160
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 0.6
• 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:

97% ^*data from raw suppliers

3-AminoisonicotinicAcidMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-36/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C=NC=C1)N
• Uses: 3-Aminoisonicotinic Acid Methyl Ester is a useful synthetic intermediate. It is used in the synthesis of morpholinophenylquinazolines and related derivatives as PI3 kinase p110α inhibitors. It is also used to synthesize aryl tetrahydropyridine inhibitors of farnesyltransferase as antitumor agents.

Technology Process of Methyl 3-aminoisonicotinate

There total 13 articles about Methyl 3-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: 97.0%

methyl 3-nitropyridine-4-carboxylate (103698-10-8) → methyl 3-aminoisonicotinate (55279-30-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; at 20 ℃; for 5h; under 3750.3 Torr;

DOI:10.1002/jhet.5570380114

Reference yield: 91.7%

methanol (67-56-1) + 3-Aminopyridine-4-carboxylic acid (7579-20-6) → methyl 3-aminoisonicotinate (55279-30-6)

Guidance literature:

With sulfuric acid; for 12h; Reflux;

Reference yield: 89.0%

→ methyl 3-aminoisonicotinate (55279-30-6)

Guidance literature:

upstream raw materials:

methyl 3-nitropyridine-4-carboxylate

methanol

3-Aminopyridine-4-carboxylic acid

diazomethyl-trimethyl-silane

Downstream raw materials:

3-aminopyridine-4-carboxamide

3-Aminopyridin-4-carboxysaeurehydrazid

methyl 3-hydroxypyridine-4-carboxylate

methyl 3-amino-2-chloropyridine-4-carboxylate