3-Aminopyridine-4-carboxylate

Base Information

• Chemical Name: 3-Aminopyridine-4-carboxylate
• CAS No.: 7579-20-6
• Molecular Formula: C6H6N2O2
• Molecular Weight: 138.126
• Hs Code.: 29333990
• DSSTox Substance ID: DTXSID40997182
• Wikidata: Q72438486
• Mol file: 7579-20-6.mol

Synonyms:3-aminopyridine-4-carboxylate;DTXSID40997182

Chemical Property of 3-Aminopyridine-4-carboxylate

Chemical Property:

• Appearance/Colour: light yellow crystalline
• Vapor Pressure: 1.06E-10mmHg at 25°C
• Melting Point: 300 °C
• Boiling Point: 497.1 °C at 760 mmHg
• PKA: 2.69±0.10(Predicted)
• Flash Point: 254.4 °C
• PSA: 76.21000
• Density: 1.417 g/cm³
• LogP: 0.94320
• Storage Temp.: -20°C Freezer
• Solubility.: Water
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 137.035102407
• Heavy Atom Count: 10
• Complexity: 132

Purity/Quality:

99% ^*data from raw suppliers

3-Aminoisonicotinic Acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CN=CC(=C1C(=O)[O-])N

Technology Process of 3-Aminopyridine-4-carboxylate

There total 19 articles about 3-Aminopyridine-4-carboxylate 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: 100.0%

3,4-pyridinedicarboximide (4664-01-1) → 3-Aminopyridine-4-carboxylic acid (7579-20-6)

Guidance literature:

With bromine; sodium hydroxide; In water; at 90 ℃; for 0.666667h; Cooling with ice;

Reference yield: 95.2%

3-bromoisonicotinic acid (13959-02-9) → 3-Aminopyridine-4-carboxylic acid (7579-20-6)

Guidance literature:

With ammonium hydroxide; copper(l) iodide; at 100 - 105 ℃; for 8h; Time; Autoclave;

Reference yield: 91.2%

4-(trifluoromethyl)pyridin-3-amine (175204-80-5) → 3-Aminopyridine-4-carboxylic acid (7579-20-6)

Guidance literature:

With potassium hydroxide; at 110 ℃; for 5h;

upstream raw materials:

3,4-pyridinedicarboximide

cinchomeronic anhydride

3,4-pyridinecarboxylic acid

3-tert-butoxycarbonylaminoisonicotinic acid

Downstream raw materials:

ethyl 3-[(phenylmethyl)amino]-4-pyridinecarboxylate

3-aminophthalimido-4-pyridinecarboxylic acid

methyl 3-aminoisonicotinate

2,6-dichloro-3-amino-4-pyridinecarboxylic acid methyl ester

Refernces

• 1、 Jiang, Xuefeng,Li, Yiming,Lin, Zhenyang,Wang, Yuhong,Yang, Tilong. "Selenium-catalyzed intramolecular atom- And redox-economical transformation ofo-nitrotoluenes into anthranilic acids". supporting information. p. 2986 - 2991. Retrieved 2021/05/05.
• 2、 -. "Synthesis method of 3-amino methyl isonicotinate". . . Retrieved 2021/09/15.