1-(3',5'-Di-O-benzoyl-2'-deoxy-2'-fluoro-b-D-arabinofuranosyl)thymine | CAS No. 97614-47-6

1-(3',5'-Di-O-benzoyl-2'-deoxy-2'-fluoro-b-D-arabinofuranosyl)thymine

Basic Information

CAS Number

97614-47-6

Molecular Formula

C24H21FN2O7

Molecular Weight

468.44 g/mol

AD

Basic Physical Properties

Density

1.42±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (1.4E-4 g/L) (25 ºC),

O=C(OC[C@H]1O[C@@H](N(C(N2)=O)C=C(C)C2=O)[C@@H](F)[C@@H]1OC(C3=CC=CC=C3)=O)C4=CC=CC=C4

InChI

InChI=1S/C24H21FN2O7/c1-14-12-27(24(31)26-20(14)28)21-18(25)19(34-23(30)16-10-6-3-7-11-16)17(33-21)13-32-22(29)15-8-4-2-5-9-15/h2-12,17-19,21H,13H2,1H3,(H,26,28,31)/t17-,18+,19-,21-/m1/s1

InChIKey

CEPDPXNYCRCFRV-RCLSDMTESA-N

LogP

2.16312

Topological Polar Surface Area

116.69 Ų

Hydrogen Bond Donor/Acceptor

1 / 9

Synonyms & References

English

  • 2,4(1H,3H)-Pyrimidinedione,1-(3,5-di-O-benzoyl-2-deoxy-2-fluoro-b-D-arabinofuranosyl)-5-methyl-
  • 1-(3',5'-DI-O-BENZOYL-2'-DEOXY-2'-FLUORO-B-D-ARABINOFURANOSYL)-THYMINE
  • 1-(3',5'-di-O-benzoyl-2'-deoxy-2'-fluoro-β-D-arabinofuranosyl)thymine
  • 1-(3,5-Di-O-benzoyl-2-deoxy-2-fluoro-β-D-arabinofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione (ACI)
  • D

MDL Number

MFCD15145237

FAQ

What regulatory guidelines apply to 1-(3',5'-Di-O-benzoyl-2'-deoxy-2'-fluoro-b-D-arabinofuranosyl)thymine (CAS: 97614-47-6)?

This compound falls under the scope of the REACH regulation in Europe, which requires manufacturers and importers to register substances with the European Chemicals Agency (ECHA). It is also important to comply with the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which includes specific hazard communication elements such as labels and safety data sheets (SDS). Additionally, the FDA and EPA in the United States may have specific requirements for the handling, storage, and disposal of this compound due to its potentially hazardous nature.

Are there alternatives to 1-(3',5'-Di-O-benzoyl-2'-deoxy-2'-fluoro-b-D-arabinofuranosyl)thymine (CAS: 97614-47-6) in synthesis?

There are several alternatives to this compound that can be used in synthesis, such as 2'-deoxy-2'-fluoro-thymidine or other 2'-fluoro nucleosides. These alternatives may offer similar or different properties depending on the specific application. Common substitute reagents include 2'-deoxy-2'-fluoro-β-cyclodextrin and benzoyl chloride, which can be used for similar functional group transformations.

What is the market or research trend for 1-(3',5'-Di-O-benzoyl-2'-deoxy-2'-fluoro-b-D-arabinofuranosyl)thymine (CAS: 97614-47-6)?

The research trend for this compound is focused on its potential use as an antiviral agent, particularly against influenza and other RNA viruses. There is ongoing interest in developing analogs and derivatives with improved pharmacological properties. Market demand is driven by the increasing need for effective antiviral treatments, and the compound is often studied in the context of HIV and hepatitis B research.

How should waste containing 1-(3',5'-Di-O-benzoyl-2'-deoxy-2'-fluoro-b-D-arabinofuranosyl)thymine (CAS: 97614-47-6) be handled?

Waste containing this compound should be collected in appropriate containers and stored separately to prevent contamination. Professional waste disposal services should be used to ensure proper handling and disposal. Environmental precautions include minimizing the release of the compound into the environment during disposal. Incineration is a common method, but chemical or biological treatment may also be considered depending on local regulations and disposal facilities.

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