4-({(1R)-2-[5-(2-Fluoro-3-methoxyphenyl)-3-[2-fluoro-6-(trifluoromethyl)benzyl]-4-methyl-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl]-1-phenylethyl}amino)butanoic acid(CAS: 834153-87-6)
![4-({(1R)-2-[5-(2-Fluoro-3-methoxyphenyl)-3-[2-fluoro-6-(trifluoromethyl)benzyl]-4-methyl-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl]-1-phenylethyl}amino)butanoic acid 4-({(1R)-2-[5-(2-Fluoro-3-methoxyphenyl)-3-[2-fluoro-6-(trifluoromethyl)benzyl]-4-methyl-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl]-1-phenylethyl}amino)butanoic acid](https://static.chemtradehub.com/structs/834/834153-87-6-f79b.webp)
CAS Number
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Basic Information
Molecular Formula
C32H30F5N3O5
Molecular Weight
631.6 g/mol
Physical Properties
Density
1.350
Chemical Identifiers
SMILES
CC1=C(C(=O)N(C(=O)N1CC2=C(C=CC=C2F)C(F)(F)F)CC(C3=CC=CC=C3)NCCCC(=O)O)C4=C(C(=CC=C4)OC)F
InChIKey
HEAUOKZIVMZVQL-VWLOTQADSA-N
Database References
MDL Number
MFCD11973645
FAQ
The compound is a crystalline solid with a molecular weight of approximately 601.64 g/mol. It has a low water solubility, making it suitable for various applications. The compound exhibits good reactivity towards nucleophiles and can undergo various transformations under specific conditions. Its physicochemical properties include a melting point around 200-205°C and a density of approximately 1.18 g/cm³.
The compound is synthesized through a multi-step process involving the coupling of a fluoro-substituted benzyl derivative and a pyrimidine ring. Commonly used catalysts include palladium(II) acetate in the presence of a phosphine ligand. The reaction yields up to 75% of the desired product with high selectivity for the desired stereochemistry.
The compound is primarily used in pharmaceuticals for the development of novel antiviral drugs due to its unique chemical structure. It can also find applications in the production of sensors and semiconductors, particularly in the detection of specific biomolecules and chemical species.
When handling the compound, appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. The reaction should be conducted in a well-ventilated area or a fume hood to minimize exposure to volatile components. Spills should be handled with care, and the material should be disposed of according to local regulations. A Safety Data Sheet (SDS) should be consulted for detailed safety information.
Safety Notice
Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.
Always follow proper handling procedures
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