6-Aminonicotinic acid

Base Information

• Chemical Name: 6-Aminonicotinic acid
• CAS No.: 3167-49-5
• Molecular Formula: C6H6N2O2
• Molecular Weight: 138.126
• Hs Code.: 2933.39
• European Community (EC) Number: 221-630-4
• NSC Number: 229361
• UNII: 9VR2O1OK60
• DSSTox Substance ID: DTXSID6062882
• Nikkaji Number: J80.655B
• Wikipedia: 6-aminonicotinic acid
• Wikidata: Q27137025
• Metabolomics Workbench ID: 65098
• ChEMBL ID: CHEMBL3322864
• Mol file: 3167-49-5.mol

Synonyms:6-aminonicotinic acid;6-aminonicotinic acid, monohydrochloride;6-aminonicotinic acid, phosphate (1:1)

Chemical Property of 6-Aminonicotinic acid

Chemical Property:

• Appearance/Colour: light yellow cryst
• Vapor Pressure: 3.03E-06mmHg at 25°C
• Melting Point: >300 °C(lit.)
• Refractive Index: 1.649
• Boiling Point: 373.6 °C at 760 mmHg
• PKA: 2.86±0.10(Predicted)
• Flash Point: 179.8 °C
• PSA: 76.21000
• Density: 1.417 g/cm³
• LogP: 0.94320
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Water Solubility.: ca 1.0 g/L (20 ºC)
• XLogP3: 1.4
• 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% ^*data from raw suppliers

6-Aminonicotinic Acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=NC=C1C(=O)O)N
• Uses: 6-Aminopyridine-3-carboxylic acid (6-Aminonicotinic acid) was used in the preparation of resin-bound 2-aminoazine. Antiproliferative

Technology Process of 6-Aminonicotinic acid

There total 28 articles about 6-Aminonicotinic 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: 88.0%

2,2-dimethyl-3-(5-cyanopyrid-2-yl)-4-oxo-4H-1,3-benzoxazine (74405-04-2) → 6-aminonicotinic acid (3167-49-5)

Guidance literature:

With hydrogenchloride; for 6h; Heating;

Reference yield: 78.0%

5-chloro-2-pyridylamine (1072-98-6) + carbon dioxide (124-38-9,18923-20-1) → 6-aminonicotinic acid (3167-49-5)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; In N,N-dimethyl-formamide; at 5 ℃; under 760 Torr; Electrochemical reaction;

DOI:10.1016/S0040-4039(03)00816-5

Reference yield: 46.0%

6-(acetylamino)pyridine-3-carboxylic acid (21550-48-1) → 6-aminonicotinic acid (3167-49-5)

Guidance literature:

With water; sodium hydroxide; for 6h; Reflux;

DOI:10.1080/10610278.2010.483732

upstream raw materials:

6-aminonicotinonitrile

6-Chloro-3-pyridinecarboxylic acid

6-aminonicotinic amide

6-(acetylamino)pyridine-3-carboxylic acid

Downstream raw materials:

ethyl-6-amino-nicotinate

6-nitronicotinic acid

5-nitro-6-aminonicotinic acid

6-hydroxy-3-pyridinecarboxylic acid

Refernces

• 1、 -. "HISTONE DEACETYLASE INHIBITORS FOR IMMUNOMODULATION IN TUMOR MICROENVIRONMENT". Paragraph 0103-0106. . Retrieved 2021/11/06.
• 2、 Frimannsson, Daniel O.,McCabe, Thomas,Schmitt, Wolfgang,Lawler, Mark,Gunnlaugsson, Thorfinnur. "Synthesis and crystallographic analysis of short pyridine-based oligoamides as DNA-targeting supramolecular binders". body text. p. 483 - 490. Retrieved 2010/11/18.