(2R,3R,4R,5R)-2-(Acetoxymethyl)-5-(2-amino-8-bromo-6-oxo-1H-purin-9(6H)-yl)tetrahydrofuran-3,4-diyl diacetate(CAS: 15717-45-0)

CAS Number
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Basic Information
Molecular Formula
C16H18BrN5O8
Molecular Weight
488.25 g/mol
Physical Properties
Melting Point
215-218°C
Boiling Point
673.5°Cat760mmHg
Density
1.94
Flash Point
361.1°C
Chemical Identifiers
SMILES
CC(=O)OCC1C(C(C(O1)N2C3=C(C(=O)NC(=N3)N)N=C2Br)OC(=O)C)OC(=O)C
InChIKey
JLZCAXCVNVVXJL-IDTAVKCVSA-N
Database References
MDL Number
MFCD00057036
FAQ
This compound is a white crystalline solid with a molecular weight of approximately 512.16 g/mol. It is sparingly soluble in water but soluble in organic solvents like ethyl acetate and dichloromethane. The compound is highly reactive and exhibits strong nucleophilic and electrophilic behavior due to its functional groups.
This compound is typically synthesized via a multi-step reaction involving the protection of the purine ring with an acetate ester, followed by acetylation of the tetrahydropyran moiety. The reaction is catalyzed by a suitable acid or base, and the overall yield is around 70-80%. The key steps include protecting group installation, acylation, and deprotection.
This compound is primarily used in the pharmaceutical industry for the development of novel therapeutic agents. Due to its specific chemical structure, it may also find applications in the development of sensors and semiconductors, although its use in these areas is more limited.
When handling this compound, appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat should be worn. Operations should be conducted in a well-ventilated fume hood to avoid inhalation of vapors. In case of skin contact, immediately wash with soap and water. For spills, use appropriate spill cleanup kits and follow the Material Safety Data Sheet (MSDS) for 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
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