8-Chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine

Base Information

• Chemical Name: 8-Chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine
• CAS No.: 338773-34-5
• Molecular Formula: C7H4ClF3N4
• Molecular Weight: 236.58
• Hs Code.: 2933399990
• DSSTox Substance ID: DTXSID30362981
• Wikidata: Q82146514
• Mol file: 338773-34-5.mol

Synonyms:338773-34-5;8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine;8-chloro-6-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-amine;8-Chloro-6-(trifluoromethyl)[1,2,4]triazolo-[4,3-a]pyridin-3-amine;3-Amino-8-chloro-6-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridine;SCHEMBL23702626;DTXSID30362981;MFCD00974657;AKOS005070059;CS-0212511;2K-040;F83051;J-519422;8-Chloro-6-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-amine, AldrichCPR

Chemical Property of 8-Chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine

Chemical Property:

• Melting Point: 273-275°C
• PKA: 3.05±0.50(Predicted)
• PSA: 56.21000
• Density: 1.83±0.1 g/cm3(Predicted)
• LogP: 2.56490
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 236.0076583
• Heavy Atom Count: 15
• Complexity: 249

Purity/Quality:

98%min ^*data from raw suppliers

8-Chloro-6-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-amine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C2=NN=C(N2C=C1C(F)(F)F)N)Cl
• Uses: 8-Chloro-6-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-amine is a useful reagent for biological study of fragment screening of N-Acetylmannosamine kinase.

Technology Process of 8-Chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine

There total 6 articles about 8-Chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine 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: 51.0%

bromocyane (506-68-3) + 3-chloro-5-(trifluoromethyl)-pyridin-2-yl-hydrazine (89570-82-1) → 8-chloro-6-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-amine (338773-34-5)

Guidance literature:

With water; In ethanol; at 20 ℃; for 6h;

Reference yield:

C7H5Cl2F3N4 → 8-chloro-6-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine (1206640-61-0) + 8-chloro-6-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-amine (338773-34-5)

Guidance literature:

With potassium carbonate; In methanol; water; at 40 ℃; for 0.5h;

DOI:10.1016/j.tet.2014.12.015

Reference yield:

2,3-dichloro-5-trifluoromethylpyridine (69045-84-7) → 8-chloro-6-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine (1206640-61-0) + 8-chloro-6-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-amine (338773-34-5)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate / ethyl acetate / 5 h / 100 °C

2: N-chloro-succinimide / methanol / 0.25 h / 40 °C

3: potassium carbonate / methanol; water / 0.5 h / 40 °C

With N-chloro-succinimide; potassium carbonate; In methanol; water; ethyl acetate;

DOI:10.1016/j.tet.2014.12.015

upstream raw materials:

2,3-dichloro-5-trifluoromethylpyridine

3-chloro-5-(trifluoromethyl)-pyridin-2-yl-hydrazine

bromocyane