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Benzyl (2S)-2-{[{[(2R,3R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-4,4-difluoro-3-hydroxytetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate(CAS: 840506-29-8)

Benzyl (2S)-2-{[{[(2R,3R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-4,4-difluoro-3-hydroxytetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate
CAS Number

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Basic Information

Molecular Formula
C25H27F2N4O8P
Molecular Weight
580.48 g/mol

Chemical Identifiers

SMILES
O=C(OCc1ccccc1)[C@@H](NP(=O)(Oc2ccccc2)OC[C@H]4O[C@@H](N/3C(=O)/N=C(/N)\C=C\3)C(F)(F)[C@@H]4O)C
InChIKey
NHTKGYOMICWFQZ-KKQYNPQSSA-N

Database References

MDL Number
MFCD27987942

FAQ

Benzyl (2S)-2-{[{[(2R,3R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-4,4-difluoro-3-hydroxytetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate is a crystalline compound with a molecular weight of approximately 562.5 g/mol. It has poor water solubility but shows good solubility in organic solvents like DMSO and DMF. The compound is reactive towards nucleophiles and can undergo hydrolysis under basic conditions. It exhibits good stability under neutral and acidic conditions.
Benzyl (2S)-2-{[{[(2R,3R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-4,4-difluoro-3-hydroxytetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate is typically synthesized via multistep organic synthesis involving the coupling of a benzyl halide with a phosphoramidite derivative, followed by subsequent modifications. Commonly used catalysts include palladium and copper complexes. The overall yield is around 50-60%, with high chemical and enantioselectivity.
Benzyl (2S)-2-{[{[(2R,3R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-4,4-difluoro-3-hydroxytetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate is primarily used in the pharmaceutical industry for drug synthesis. It can also find applications in the development of new materials and sensors due to its unique chemical structure and reactivity.
When handling Benzyl (2S)-2-{[{[(2R,3R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-4,4-difluoro-3-hydroxytetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate, it is essential to use personal protective equipment (PPE) including gloves, lab coat, and safety goggles. Work should be conducted in a well-ventilated fume hood. Spills should be cleaned up using appropriate absorbent materials, and the area should be rinsed with water. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal 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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