Diethyl N-[1-(4-fluorophenyl)-2,3,4,5,6,7-hexahydro-2,4,6-trioxo-5-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidin-5-yl]phosphoramidate

Base Information

• Chemical Name: Diethyl N-[1-(4-fluorophenyl)-2,3,4,5,6,7-hexahydro-2,4,6-trioxo-5-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidin-5-yl]phosphoramidate
• CAS No.: 889957-79-3
• Molecular Formula: C₁₇H₁₇F₄N₄O₆P
• Molecular Weight: 480.313
• DSSTox Substance ID: DTXSID401102261
• Mol file: 889957-79-3.mol

Synonyms:DTXSID401102261;STK687399;AKOS005600455;889957-79-3;diethyl [1-(4-fluorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]phosphoramidate;Diethyl N-[1-(4-fluorophenyl)-2,3,4,5,6,7-hexahydro-2,4,6-trioxo-5-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidin-5-yl]phosphoramidate

Chemical Property of Diethyl N-[1-(4-fluorophenyl)-2,3,4,5,6,7-hexahydro-2,4,6-trioxo-5-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidin-5-yl]phosphoramidate

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 480.08218392
• Heavy Atom Count: 32
• Complexity: 879

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOP(=O)(NC1(C2=C(NC1=O)N(C(=O)NC2=O)C3=CC=C(C=C3)F)C(F)(F)F)OCC

Technology Process of Diethyl N-[1-(4-fluorophenyl)-2,3,4,5,6,7-hexahydro-2,4,6-trioxo-5-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidin-5-yl]phosphoramidate

There total 1 articles about Diethyl N-[1-(4-fluorophenyl)-2,3,4,5,6,7-hexahydro-2,4,6-trioxo-5-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidin-5-yl]phosphoramidate 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%

6-amino-1-(4-fluoro-phenyl)-1H-pyrimidine-2,4-dione (16357-51-0) + methyl 2-(diethoxyphosphorylimino)-3,3,3-trifluoropropionate (503312-47-8) → diethyl [1-(4-fluorophenyl)-5-trifluoromethyl-2,4,6-trioxo-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]amidophosphate (889957-79-3)

Guidance literature:

In N,N-dimethyl-formamide; at 90 - 100 ℃;

DOI:10.1007/s11172-007-0353-0

upstream raw materials:

6-amino-1-(4-fluoro-phenyl)-1H-pyrimidine-2,4-dione

methyl 2-(diethoxyphosphorylimino)-3,3,3-trifluoropropionate