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(3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid(CAS: 287714-41-4)
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CAS Number
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Basic Information
Molecular Formula
C22H28FN3O6S
Molecular Weight
481.55 g/mol
Physical Properties
Melting Point
210-218°C
Boiling Point
745.6°C at 760 mmHg
Chemical Identifiers
SMILES
CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C
InChIKey
BPRHUIZQVSMCRT-VEUZHWNKSA-N
Database References
MDL Number
MFCD18783208
FAQ
The compound (3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid is an organic compound with a molecular weight of approximately 432.37 g/mol. It is sparingly soluble in water but soluble in most organic solvents. The compound exhibits limited reactivity, being stable under normal storage conditions but may undergo slow hydrolysis in aqueous solutions. It crystallizes as a white solid with a melting point around 150-155°C.
The compound is typically synthesized via a multi-step process involving the condensation of a fluorophenyl derivative with a pyrimidine intermediate, followed by the coupling of a propan-2-yl group and the introduction of a 3,5-dihydroxyhept-6-enoic acid moiety. Commonly used catalysts include phosphine-based ligands and palladium complexes. The synthetic route ensures high selectivity and yield, often achieving over 90% product purity.
The compound (3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid is primarily used in the pharmaceutical industry as an intermediate in the synthesis of drugs targeting various diseases. It may also find applications in the polymer industry for developing advanced materials and in the sensor technology for detecting specific chemical compounds.
When handling (3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid, it is essential to use appropriate personal protective equipment (PPE), including gloves, goggles, and lab coats. The compound should be handled in a well-ventilated area or a fume hood to minimize inhalation risks. In case of a spill, it is recommended to use absorbent materials and dispose of them according to local hazardous waste regulations. Always refer to the safety data sheet (SDS) for detailed handling and disposal instructions.
Safety Notice
Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.
Always follow proper handling procedures