5-(Trifluoromethyl)pyridine-2,3-diamine

Base Information

• Chemical Name: 5-(Trifluoromethyl)pyridine-2,3-diamine
• CAS No.: 107867-51-6
• Molecular Formula: C6H6F3N3
• Molecular Weight: 177.129
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID00436769
• Wikidata: Q82252073
• Mol file: 107867-51-6.mol

Synonyms:5-(trifluoromethyl)pyridine-2,3-diamine;107867-51-6;2,3-DIAMINO-5-TRIFLUOROMETHYLPYRIDINE;2,3-Pyridinediamine, 5-(trifluoromethyl)-;MFCD10696252;2,3-Diamino-5-(trifluoromethyl)pyridine;SCHEMBL1716472;DTXSID00436769;AMY12171;GEO-02849;5-trifluoromethylpyridin-2,3-diamine;AKOS006305304;AB56876;5-(trifluoromethyl)pyridin-2,3-diamine;5-trifluoromethyl-pyridine-2,3 diamine;5-Trifluoromethyl-pyridine-2,3-diamine;AC-29086;DS-11828;SY108192;CS-0097703;FT-0717450;C71296;EN300-196273;5-(TRIFLUOROMETHYL)-2,3-PYRIDINEDIAMINE;A895384;Z1198276267

Chemical Property of 5-(Trifluoromethyl)pyridine-2,3-diamine

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.539
• Boiling Point: 296.682 °C at 760 mmHg
• PKA: 4.43±0.49(Predicted)
• Flash Point: 133.229 °C
• PSA: 64.93000
• Density: 1.467 g/cm³
• LogP: 2.42720
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 177.05138169
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

99% ^*data from raw suppliers

5-(Trifluoromethyl)pyridine-2,3-diamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC(=C1N)N)C(F)(F)F

Technology Process of 5-(Trifluoromethyl)pyridine-2,3-diamine

There total 5 articles about 5-(Trifluoromethyl)pyridine-2,3-diamine 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%

5-(Trifluoromethyl)-3-nitro-2-aminopyridine (53359-69-6) → 5-(trifluoromethyl)-2,3-pyridinediamine (107867-51-6)

Guidance literature:

With hydrogen; nickel; In methanol; for 2h; under 1551.4 - 2068.6 Torr;

DOI:10.1021/jm970396y

Reference yield:

3-bromo-5-trifluoromethyl-pyridin-2-ylamine (79456-30-7) → 5-(trifluoromethyl)-2,3-pyridinediamine (107867-51-6)

Guidance literature:

With copper acetylacetonate; ammonia; caesium carbonate; acetylacetone; In 1-methyl-pyrrolidin-2-one; water; at 110 ℃; for 12h; Autoclave; Cooling with ice;

Reference yield:

2-amino-5-trifluoromethylpyridine (74784-70-6) → 5-(trifluoromethyl)-2,3-pyridinediamine (107867-51-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 11 percent / HNO₃; H₂SO₄ / 48 h / 80 °C

2: SnCl₂*2H₂O / dimethylformamide / 4 h / 60 °C

With sulfuric acid; nitric acid; tin(ll) chloride; In N,N-dimethyl-formamide;

DOI:10.1021/jm060065y

upstream raw materials:

5-(Trifluoromethyl)-3-nitro-2-aminopyridine

2-amino-5-trifluoromethylpyridine

1'-(7-chloro-1H-benzimidazol-2-yl)-spiro[isobenzofuran-1,4'-piperidin]-3-one

3-bromo-5-trifluoromethyl-pyridin-2-ylamine

Downstream raw materials:

2-(chloromethyl)-6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridine

2-amino-3-(2-methyl-6-methoxycarbonylaminobenzylamino)pyridine

7-trifluoromethyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione

Refernces

• 1、 -. "PEST CONTROL COMPOSITION FOR HARMFUL ARTHROPODS, AND PEST CONTROL METHOD FOR HARMFUL ARTHROPODS". . . Retrieved 2015/05/06.
• 2、 -. "PYRROLO [2, 3-C] PYRIDINE DERIVATIVES AS P38 KINASE INHIBITING AGENTS". Page/Page column 48. . Retrieved 2010/01/07.