Unii-3U4D8flx2L

Base Information

Chemical Name:Unii-3U4D8flx2L
CAS No.:221164-28-9
Molecular Formula:C₂₂H₁₄F₃N₅O₇
Molecular Weight:517.378
Hs Code.:
UNII:3U4D8FLX2L
ChEMBL ID:CHEMBL188018

Synonyms:KRP 199;KRP-199;KRP199

Suppliers and Price of Unii-3U4D8flx2L

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 0 raw suppliers

Chemical Property of Unii-3U4D8flx2L

Chemical Property:

XLogP3:2.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:7
Exact Mass:517.08453229
Heavy Atom Count:37
Complexity:953

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC=C1C(=O)O)NC(=O)OCC2=CN(C=N2)C3=CC4=C(C=C3C(F)(F)F)NC(=O)C(=N4)C(=O)O

Technology Process of Unii-3U4D8flx2L

There total 11 articles about Unii-3U4D8flx2L 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: 57.0%

: 221164-27-8
ethyl 3,4-dihydro-7-{4-[(4-ethoxycarbonylphenylaminocarbonyloxy)methyl]imidazol-1-yl}-3-oxo-6-(trifluoromethyl)quinoxaline-2-carboxylate

: 221164-28-9
7-[4-[[[[(4-carboxyphenyl)-amino]carbonyl]oxy]methyl]-1H-imidazol-1-yl]-3,4-dihydro-3-oxo-6-(trifluoromethyl)-2-quinoxalinecarboxylic acid

Guidance literature:: With hydrogenchloride; acetic acid; at 20 ℃; for 2h;
DOI:10.1016/j.bmc.2005.08.060

Reference yield:

: 400-74-8
2-Fluoro-5-nitrobenzotrifluoride

: 221164-28-9
7-[4-[[[[(4-carboxyphenyl)-amino]carbonyl]oxy]methyl]-1H-imidazol-1-yl]-3,4-dihydro-3-oxo-6-(trifluoromethyl)-2-quinoxalinecarboxylic acid

Guidance literature:: Multi-step reaction with 10 steps

1: hydrogen; AcOH / Pd/C

2: 116 g / Et₃N / CHCl₃ / 48 h

3: 87 percent / fuming HNO₃ / 0.5 h / 0 °C

4: 78 percent / K₂CO₃ / dimethylformamide / 4 h / 80 °C

5: 91 percent / acetonitrile / 16 h / 140 °C

6: 89 percent / HCl / Heating

7: 100 percent / hydrogen / Pd/Ac / ethanol / 3 h / 20 °C

8: 43 percent / ethanol / 4 h / Heating

9: 67 percent / dimethylformamide / 2 h / 60 °C

10: 57 percent / HCl; AcOH / 2 h / 20 °C

With hydrogenchloride; hydrogen; nitric acid; potassium carbonate; acetic acid; triethylamine; palladium on activated charcoal; Pd/Ac; In ethanol; chloroform; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1016/j.bmc.2005.08.060

Reference yield:

: 2145-38-2
4-fluoro-3-(trifluoromethyl)acetanilide

: 221164-28-9
7-[4-[[[[(4-carboxyphenyl)-amino]carbonyl]oxy]methyl]-1H-imidazol-1-yl]-3,4-dihydro-3-oxo-6-(trifluoromethyl)-2-quinoxalinecarboxylic acid

Guidance literature:: Multi-step reaction with 8 steps

1: 87 percent / fuming HNO₃ / 0.5 h / 0 °C

2: 78 percent / K₂CO₃ / dimethylformamide / 4 h / 80 °C

3: 91 percent / acetonitrile / 16 h / 140 °C

4: 89 percent / HCl / Heating

5: 100 percent / hydrogen / Pd/Ac / ethanol / 3 h / 20 °C

6: 43 percent / ethanol / 4 h / Heating

7: 67 percent / dimethylformamide / 2 h / 60 °C

8: 57 percent / HCl; AcOH / 2 h / 20 °C

With hydrogenchloride; hydrogen; nitric acid; potassium carbonate; acetic acid; Pd/Ac; In ethanol; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1016/j.bmc.2005.08.060