1032507-17-7

Basic information

• Product Name: 4-(3,5-DIFLUORO-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER
• Synonyms: ethyl 4-(3,5-difluorophenyl)-3-oxobutanoate;Benzenebutanoic acid, 3,5-difluoro-β-oxo-, ethyl ester;4-(3,5-DIFLUORO-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER
• CAS NO: 1032507-17-7
• Molecular Formula: C₁₂H₁₂F₂O₃
• Molecular Weight: 242.22
• Mol File: 1032507-17-7.mol
• Article Data: 4

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 4-(3,5-DIFLUORO-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(3,5-DIFLUORO-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER(1032507-17-7)
• EPA Substance Registry System: 4-(3,5-DIFLUORO-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER(1032507-17-7)

Safety Data

• Hazardous Substances Data: 1032507-17-7(Hazardous Substances Data)

Upstream product

• 105-36-2 ethyl bromoacetate 
• 122376-76-5 2-(3,5-difluorophenyl)acetonitrile 

Downstream Products

• 1360538-96-0 6-(3,5-difluorobenzyl)-1-ethoxymethyl-5-iodouracil 
• 1360538-97-1 6-(3,5-difluorobenzyl)-1-benzyloxymethyl-5-iodouracil 
• 1616298-74-8 6-(3,5-difluorobenzyl)-2-((4-cyanobenzyl)thio)pyrimidin-4(3H)-one 
• 1616298-85-1 6-(3,5-difluorobenzyl)-5-iodo-2-((4-nitrophenoxyethyl)thio)pyrimidin-4(3H)-one 
• 1616298-82-8 6-(3,5-difluorobenzyl)-5-iodo-2-((4-cyanobenzyl)thio)pyrimidin-4(3H)-one 
• 1616298-73-7 6-(3,5-difluorobenzyl)-2-((4-nitrobenzyl)thio)pyrimidin-4(3H)-one 
• 1616298-81-7 6-(3,5-difluorobenzyl)-5-iodo-2-((4-nitrobenzyl)thio)pyrimidin-4(3H)-one 
• 1616298-80-6 6-(3,5-difluorobenzyl)-2-(benzyloxymethylthio)pyrimidin-4(3H)-one 
• 1616298-79-3 6-(3,5-difluorobenzyl)-2-(phenoxypropylthio)pyrimidin-4(3H)-one 
• 1616298-77-1 6-(3,5-difluorobenzyl)-2-((4-nitrophenoxyethyl)thio)pyrimidin-4(3H)-one 
• 1616298-78-2 6-(3,5-difluorobenzyl)-2-((4-nitrophenylethyl)thio)pyrimidin-4(3H)-one 
• 1616298-76-0 6-(3,5-difluorobenzyl)-2-((4-methoxycarbonylbenzyl)thio)pyrimidin-4(3H)-one 

Relevant articles and documents

2-Arylthio-5-iodo pyrimidine derivatives as non-nucleoside HBV polymerase inhibitors

In this study, a series of 2-arylthio-5-iodo pyrimidine derivatives, as non-nucleoside hepatitis B virus inhibitors, were evaluated and firstly reported as potential anti-HBV agents. To probe the mechanism of active agents, DHBV polymerase was isolated and a non-radioisotopic assay was established for measuring HBV polymerase. The biological results demonstrated that 2-arylthio-5-iodo pyrimidine derivatives targeted HBV polymerase. In addition, pharmacophore models were constructed for future optimization of lead compounds. Further study will be performed for the development of non-nucleoside anti-HBV agents.

Synthesis and biological evaluation of novel 2-Arylalkylthio-5-iodine-6- substituted-benzyl-pyrimidine-4(3H)-ones as Potent HIV-1 Non-Nucleoside reverse transcriptase inhibitors

A novel series of 2-arylalkylthio-5-iodine-6-substitutedbenzyl-pyrimidine- 4(3H)- ones (S-DABOs) 8a-x had been synthesized via an efficient method. Their biological activity against HIV virus and RT assay were evaluated. Some compounds, especially 8h, 8l and 8n, displayed promising activity against HIV-1 RT with IC50 values in a range of 0.41 μM to 0.71 iM, which were much better than that of nevirapine. Molecular modeling studies revealed that the binding mode would be affected via forming an additional hydrogen bond by incorporating an oxygen atom on the C-2 side chain. The biological activity was in accordance with the docking results.