2-amino-6-(Trifluoromethyl)nicotinic acid

Base Information

• Chemical Name: 2-amino-6-(Trifluoromethyl)nicotinic acid
• CAS No.: 890302-02-0
• Molecular Formula: C7H5F3N2O2
• Molecular Weight: 206.1220096
• European Community (EC) Number: 858-976-6
• DSSTox Substance ID: DTXSID40470607
• Wikidata: Q82298761
• Mol file: 890302-02-0.mol

Synonyms:2-amino-6-(Trifluoromethyl)nicotinic acid;890302-02-0;2-amino-6-(trifluoromethyl)pyridine-3-carboxylic Acid;MFCD10696212;2-amino-6-(Trifluoromethyl)nicotinicacid;SCHEMBL167782;DTXSID40470607;AKOS016000463;AB56765;CS-W021572;DS-5424;2-amino-6-trifluoromethylnicotinic acid;SY104522;EN300-140624;F50735;Z1269179336

Chemical Property of 2-amino-6-(Trifluoromethyl)nicotinic acid

Chemical Property:

• Boiling Point: 303.0±42.0 °C(Predicted)
• PKA: 3.70±0.10(Predicted)
• PSA: 76.21000
• Density: 1.573±0.06 g/cm3(Predicted)
• LogP: 1.96200
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 206.03031189
• Heavy Atom Count: 14
• Complexity: 232

Purity/Quality:

98%min ^*data from raw suppliers

2-amino-6-(trifluoromethyl)nicotinicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=NC(=C1C(=O)O)N)C(F)(F)F

Technology Process of 2-amino-6-(Trifluoromethyl)nicotinic acid

There total 2 articles about 2-amino-6-(Trifluoromethyl)nicotinic 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: 69.0%

2-amino-6-trifluoromethyl-nicotinonitrile (1026039-34-8) → 2-amino-6-(trifluoromethyl)nicotinic acid (890302-02-0)

Guidance literature:

With potassium hydroxide; for 2h; Heating;

DOI:10.1016/j.bmcl.2007.11.101

Reference yield:

2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid (280566-45-2) → 2-amino-6-(trifluoromethyl)nicotinic acid (890302-02-0)

Guidance literature:

2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid; With 2,4-Dimethoxybenzylamine; at 100 ℃;

With trifluoroacetic acid; for 0.5h;

Reference yield:

2-amino-6-(trifluoromethyl)nicotinic acid (890302-02-0) + (2S)-2-[(tert-butoxycarbonyl)amino]-3-(3,5-difluorophenyl)propanoic acid (205445-52-9,669057-06-1) → tert-butyl (2-(3,5-difluorophenyl)-1-(4-oxo-7-(trifluoromethyl)-4H-pyrido[2,3-d][1,3]oxazin-2-yl)ethyl)carbamate

Guidance literature:

With 4-methyl-morpholine; isobutyl chloroformate; In dichloromethane; at -20 - 20 ℃; for 20h; Reflux;

upstream raw materials:

2-amino-6-trifluoromethyl-nicotinonitrile

2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid

Refernces

• 1、 -. "HETEROCYCLIC JAK KINASE INHIBITORS". Page/Page column 77. . Retrieved 2010/04/27.