2-Aminoisonicotinic acid

Base Information

• Chemical Name: 2-Aminoisonicotinic acid
• CAS No.: 13362-28-2
• Molecular Formula: C6H6N2O2
• Molecular Weight: 138.126
• Hs Code.: 29339900
• European Community (EC) Number: 681-100-7
• NSC Number: 127962
• DSSTox Substance ID: DTXSID40299072
• Nikkaji Number: J81.605A
• Wikidata: Q72438489
• ChEMBL ID: CHEMBL3322866
• Mol file: 13362-28-2.mol

Synonyms:2-aminoisonicotinic acid;13362-28-2;2-aminopyridine-4-carboxylic acid;2-Amino-4-Pyridinecarboxylic Acid;2-Amino-isonicotinic acid;2-Amino-4-Pyridine Carboxylic Acid;2-Amino isonicotinic acid;2-Aminoisonicotinicacid;4-PYRIDINECARBOXYLIC ACID, 2-AMINO-;MFCD00233714;CHEMBL3322866;NSC127962;SCHEMBL220538;2-Amino-4-PyridinecarboxylicAcid;DTXSID40299072;QMKZZQPPJRWDED-UHFFFAOYSA-N;BCP00191;CS-D1172;BBL009435;BDBM50121998;GEO-00202;STK729388;2-Amino-isonicotinic acid, AldrichCPR;AKOS000214130;AC-2887;NSC-127962;PB19872;PS-4089;BP-10924;AM20050773;FT-0636878;EN300-78505;AH-011/25003862;W-200105

Chemical Property of 2-Aminoisonicotinic acid

Chemical Property:

• Appearance/Colour: light yellow cryst
• Vapor Pressure: 9.33E-11mmHg at 25°C
• Melting Point: 300-302 °C
• Refractive Index: 1.649
• Boiling Point: 498.5 °C at 760 mmHg
• PKA: 2.11±0.10(Predicted)
• Flash Point: 255.3 °C
• PSA: 76.21000
• Density: 1.417 g/cm³
• LogP: 0.94320
• Storage Temp.: Keep Cold
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 138.042927438
• Heavy Atom Count: 10
• Complexity: 138

Purity/Quality:

99.8% ^*data from raw suppliers

2-Aminoisonicotinic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,T
• Hazard Codes: Xi,T,Xn
• Statements: 36/37/38-23/24/25-22
• Safety Statements: 26-36-45-36/37/39

MSDS Files:

Useful:

• Canonical SMILES: C1=CN=C(C=C1C(=O)O)N

Technology Process of 2-Aminoisonicotinic acid

There total 6 articles about 2-Aminoisonicotinic acid 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:

2-chloroisonicotinic acid, (6313-54-8) → 2-aminoisonicotinic acid (13362-28-2)

Guidance literature:

With ammonium hydroxide; at 190 ℃;

DOI:10.1002/hlca.19510340214

Reference yield:

2-(acetylamino)isonicotinic acid (54221-95-3) → 2-aminoisonicotinic acid (13362-28-2)

Guidance literature:

With sodium hydroxide;

Reference yield:

→ 2-aminoisonicotinic acid (13362-28-2)

Guidance literature:

2-Chlor-isonicotinsaeure-N-oxid, aq. NH3 (200grad, Druck, 8h);

upstream raw materials:

2-chloroisonicotinic acid,

2-(acetylamino)isonicotinic acid

2-acetylamino-4-methylpyridine

2-Amino-4-methylpyridine

Downstream raw materials:

2-amino-4-ethoxycarbonyl-pyridine

2-amino-5-nitropyridine-4-carboxylic acid

methyl 2-aminoisonicotinate

methyl 2-oxo-1,2-dihydropyridine-4-carboxylate

Refernces

• 1、 Lifshits,Ostapchuk,Brel. "New method for preparation of (2-aminopyridin-4-yl)methanol". . p. 744 - 745. Retrieved 2015/07/02.
• 2、 -. "Benzene derivatives and pharmaceutical composition". . . Retrieved 2008/06/13.