[(2R,3S,5R)-3-Acetyloxy-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methyl acetate | CAS No. 22432-93-5

[(2R,3S,5R)-3-Acetyloxy-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methyl acetate

Basic Information

CAS Number

22432-93-5

Molecular Formula

C12H16N4O6

Molecular Weight

312.28 g/mol

AD

Basic Physical Properties

Density

1.59±0.1 g/cm3 (20 ºC 760 Torr),

O1[C@H](C[C@@H]([C@H]1COC(C)=O)OC(C)=O)N1C=NC(N)=NC1=O

InChI

1S/C12H16N4O6/c1-6(17)20-4-9-8(21-7(2)18)3-10(22-9)16-5-14-11(13)15-12(16)19/h5,8-10H,3-4H2,1-2H3,(H2,13,15,19)/t8-,9+,10+/m0/s1

InChIKey

GZJUWGDKJKLXMT-IVZWLZJFSA-N

LogP

-0.41600

Topological Polar Surface Area

135.63 Ų

Hydrogen Bond Donor/Acceptor

2 / 10

Complexity

546

Synonyms & References

English

  • 1,3,5-Triazin-2(1H)-one,4-amino-1-(3,5-di-O-acetyl-2-deoxy-D-erythro-pentofuranosyl)-
  • 3',5'-DI-O-ACETYL-2-DEOXY-5-AZACYTOSINE
  • 4-amino-1-(O3,O5-diacetyl-β-D-erythro-2-deoxy-pentofuranosyl)-1H-[1,3,5]triazin-2-one
  • 4-amino-1-(O3,O5-diacetyl--D-erythro-2-deoxy-pentofuranosyl)-1H-[1,3,5]triazin-2-one
  • [(2R,3S,5R)-3-Acetyloxy-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methyl acetate

FAQ

What are the physical and chemical properties of [(2R,3S,5R)-3-Acetyloxy-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methyl acetate (CAS: 22432-93-5)?

It is a solid with a crystalline form. The molecular weight is approximately 456.5 g/mol. Its solubility in water is low. It is reactive towards basic conditions, showing moderate reactivity towards nucleophiles.

How is [(2R,3S,5R)-3-Acetyloxy-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methyl acetate (CAS: 22432-93-5) typically synthesized?

It can be synthesized through a multistep process involving acetylation, cyclization, and nucleophilic substitution. Commonly, this involves the use of acetic anhydride and sodium hydride as catalysts, yielding a high selectivity and moderate yield.

What industries use [(2R,3S,5R)-3-Acetyloxy-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methyl acetate (CAS: 22432-93-5)?

This compound is primarily used in the pharmaceutical industry for drug synthesis. It may also find applications in the polymer industry for enhancing certain polymer properties and in semiconductor manufacturing for specific processing steps.

What precautions should be taken when handling [(2R,3S,5R)-3-Acetyloxy-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methyl acetate (CAS: 22432-93-5)?

When handling this compound, it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to minimize inhalation risks. In case of a spill, follow the safety data sheet (SDS) guidelines for cleanup.

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