7-Trifluoromethyl-1,4-dihydro-pyrido[2,3-b]pyrazine-2,3-dione

Base Information

• Chemical Name: 7-Trifluoromethyl-1,4-dihydro-pyrido[2,3-b]pyrazine-2,3-dione
• CAS No.: 168123-87-3
• Molecular Formula: C8H4F3N3O2
• Molecular Weight: 231.13100
• DSSTox Substance ID: DTXSID20445414
• Nikkaji Number: J842.442J
• Wikidata: Q82263799
• ChEMBL ID: CHEMBL93837
• Mol file: 168123-87-3.mol

Synonyms:168123-87-3;7-Trifluoromethyl-1,4-dihydro-pyrido[2,3-b]pyrazine-2,3-dione;7-(trifluoromethyl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione;CHEMBL93837;SCHEMBL8482774;DTXSID20445414;BDBM50170275;FT-0723116;7-(trifluoromethyl)pyrido[2,3-b]pyrazin-2,3-diol;7-(Trifluoromethyl)pyrido[2,3-b]pyrazine-2,3(1H,4H)-dione

Chemical Property of 7-Trifluoromethyl-1,4-dihydro-pyrido[2,3-b]pyrazine-2,3-dione

Chemical Property:

• PSA: 78.61000
• LogP: 0.63020
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 231.02556087
• Heavy Atom Count: 16
• Complexity: 331

Purity/Quality:

98%min ^*data from raw suppliers

1,4-dihydro-7-(trifluoromethyl)-Pyrido[2,3-b]pyrazine-2,3-dione 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC2=C1NC(=O)C(=O)N2)C(F)(F)F

Technology Process of 7-Trifluoromethyl-1,4-dihydro-pyrido[2,3-b]pyrazine-2,3-dione

There total 4 articles about 7-Trifluoromethyl-1,4-dihydro-pyrido[2,3-b]pyrazine-2,3-dione 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: 94.0%

oxalic acid diethyl ester (95-92-1) + 5-(trifluoromethyl)-2,3-pyridinediamine (107867-51-6) → 7-trifluoromethyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione (168123-87-3)

Guidance literature:

at 160 ℃; for 2h;

DOI:10.1021/jm970396y

Reference yield:

5-(Trifluoromethyl)-3-nitro-2-aminopyridine (53359-69-6) → 7-trifluoromethyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione (168123-87-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / H₂ / Raney Ni / methanol / 2 h / 1551.4 - 2068.6 Torr

2: 94 percent / 2 h / 160 °C

With hydrogen; nickel; In methanol;

DOI:10.1021/jm970396y

Reference yield:

2-amino-5-trifluoromethylpyridine (74784-70-6) → 7-trifluoromethyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione (168123-87-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 61 percent / H₂SO₄, 70percent HNO₃ / 46 h / 80 °C

2: 100 percent / H₂ / Raney Ni / methanol / 2 h / 1551.4 - 2068.6 Torr

3: 94 percent / 2 h / 160 °C

With sulfuric acid; hydrogen; nitric acid; nickel; In methanol;

DOI:10.1021/jm970396y

upstream raw materials:

oxalyl dichloride

5-(trifluoromethyl)-2,3-pyridinediamine

oxalic acid diethyl ester

2-amino-5-trifluoromethylpyridine

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