113494-35-2

Basic information

• Product Name: 2,4-diamino-5-(4-fluoro-3-nitrophenyl)-6-ethylpyrimidine
• Synonyms: 2,4-diamino-5-(4-fluoro-3-nitrophenyl)-6-ethylpyrimidine
• CAS NO: 113494-35-2
• Molecular Formula: C₁₂H₁₂FN₅O₂
• Molecular Weight: 277.25
• Mol File: 113494-35-2.mol

Chemical Properties

• Boiling Point: 548.2°Cat760mmHg
• Flash Point: 285.4°C
• Appearance: /
• Density: 1.424g/cm³
• Vapor Pressure: 4.53E-12mmHg at 25°C
• Refractive Index: 1.657
• PKA: 6.46±0.10(Predicted)
• CAS DataBase Reference: 2,4-diamino-5-(4-fluoro-3-nitrophenyl)-6-ethylpyrimidine(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4-diamino-5-(4-fluoro-3-nitrophenyl)-6-ethylpyrimidine(113494-35-2)
• EPA Substance Registry System: 2,4-diamino-5-(4-fluoro-3-nitrophenyl)-6-ethylpyrimidine(113494-35-2)

Safety Data

• Hazardous Substances Data: 113494-35-2(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
2,4-diamino-5-(4-fluoro-3-nitrophenyl)-6-ethylpyrimidine is used as a building block in organic synthesis for the creation of more complex molecules. Its unique functional groups and structural features make it a valuable intermediate in the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 2,4-diamino-5-(4-fluoro-3-nitrophenyl)-6-ethylpyrimidine is used as a potential lead compound for drug development. Its structural elements, including the fluorine and nitro substitutions, may confer specific biological activities, making it a candidate for further exploration in medicinal chemistry. 2,4-diamino-5-(4-fluoro-3-nitrophenyl)-6-ethylpyrimidine could be optimized for targeted therapies, potentially leading to new treatments for various diseases.
Used in Material Science:
2,4-diamino-5-(4-fluoro-3-nitrophenyl)-6-ethylpyrimidine may also find applications in material science, where its chemical properties could be leveraged to develop new materials with specialized functions. For instance, its electronic and optical properties could be harnessed in the creation of advanced materials for use in sensors, electronic devices, or other high-tech applications.

InChI:InChI=1/C12H12FN5O2/c1-2-8-10(11(14)17-12(15)16-8)6-3-4-7(13)9(5-6)18(19)20/h3-5H,2H2,1H3,(H4,14,15,16,17)

Upstream product

• 314-75-0 6-ethyl-5-(4-fluoro-phenyl)-pyrimidine-2,4-diyldiamine 

Downstream Products

• 113494-41-0 2,4-diamino-5-(3-amino-4-fluorophenyl)-6-ethylpyrimidine 
• 194039-59-3 2,4-diamino-5-{4'-[N-(4''-carboxybenzyl)amino]-3'-nitrophenyl}-6-ethylpyrimidine 
• 194039-73-1 2,4-diamino-5-{4'-[N-(4''-dioxolan-2-ylbenzyl)amino]-3'-nitrophenyl}-6-ethylpyrimidine 
• 194039-64-0 2,4-diamino-5-(4'-{N-[4''-(4,4-dimethyloxazolin-2-yl)benzyl]amino}-3'-nitrophenyl)-6-ethylpyrimidine 
• 1026402-77-6 C₂₅H₂₈N₆O₆ 
• 194039-96-8 diethyl N-[4-({N-'-[2-nitro-4-(2,4-diamino-6-ethylpyrimidin-5-yl)anilino]}methyl)benzoyl]-L-glutamate 

Relevant articles and documents

Stuctural Studies on Bio-active Compounds. Part 5. Synthesis and Properties of 2,4-Diaminopyrimidine Dihydrofolate Reductase Inhibitors bearing Lipophilic Azido Groups

A series of 2,4-diamino-5-(azidoaryl)-6-alkylpyrimidines has been prepared.The azide (36) (MZP) can be reduced by thiol reagents to the corresponding amine (28) but reductive deazidation occured when the series of azidophenyl derivatives was heated with hydrazine hydrate.Degradation of azide (36) in a trifluoroacetic acid-trifluoromethanesulphonic acid mixture at 0 deg C affords a means of introducing the bulky trifluoromethylsulphonyloxy substituent into the hindered ortho-position of the 5-aryl substituent.The products formed from thermolysis and photolysis of the azide (36) and the planar analogue 2,4-diamino-6-azidoquinazoline (70) derive from the triplet nitrene reactive intermediates. The azido compounds are potent inhibitors of rat liver dihydrofolate reductase although not as active as metoprin.The azide (36), as its ethanesulphonic acid salt, was selected for clinical trial on the basis of its ease of synthesis and suitable biological and pharmaceutical properties, and has a shorter biological half-life than compounds of comparable hydrophobicity.