2-[(2-Acetamido-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]-1,3-propanediyl diacetate | CAS No. 86357-14-4

2-[(2-Acetamido-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]-1,3-propanediyl diacetate

Basic Information

CAS Number

86357-14-4

Molecular Formula

C15H19N5O7

Molecular Weight

381.35 g/mol

AD

Basic Physical Properties

Melting Point

172.0 to 176.0 deg-C

Density

1.50

CC(=O)OCC(OCn1cnc2c1nc(NC(=O)C)[nH]c2=O)COC(=O)C

InChI

InChI=1S/C15H19N5O7/c1-8(21)17-15-18-13-12(14(24)19-15)16-6-20(13)7-27-11(4-25-9(2)22)5-26-10(3)23/h6,11H,4-5,7H2,1-3H3,(H2,17,18,19,21,24)

InChIKey

PEZKHGVZZSQDPY-UHFFFAOYSA-N

LogP

-0.4530999999999996

Topological Polar Surface Area

154.49999999999997 Ų

Hydrogen Bond Donor/Acceptor

2 / 12

Complexity

620

Safety Information

View Safety Information

Hazard Statement

H340 May cause genetic defects
Germ cell mutagenicity
H351 Suspected of causing cancer
Carcinogenicity
H360 May damage fertility or the unborn child
Reproductive toxicity

Synonyms & References

English

  • triacetyl-ganciclovir
  • N-[9-[[2-(Acetyloxy)-1-[(acetyloxy)methyl]ethoxy]methyl]-6,9-dihydro-6-oxo-1H-purin-2-yl]acetamide
  • Triacetylganciclovir
  • N-Acetyl-di-O-acetylganciclovir
  • [2-[(2-acetamido-6-oxo-3H-purin-9-yl)methoxy]-3-acetyloxypropyl] acetate
  • Acetamide
  • N-[9-[[2-(ACETYLOXY)-1-[(ACETYLOXY)METHYL]ETHOXY]METHYL]-6,9-DIHYDRO-6-OXO-1H-PURIN-2-YL]AC...
  • TRIACETYL GANCICLOVIR &amp
  • 2-((2-Acetamido-6-oxo-1H-purin-9(6H)-yl)methoxy)propane-1,3-diyl diacetate
  • N-Acetyl-di-O-acetyl Ganciclovir
  • Acetamide,N-[9-[[2-(acetyloxy)-1-[(acetyloxy)methyl]ethoxy]methyl]-6,9-dihydro-6-oxo-1H-purin-2-yl]-
  • Triacetyl ganciclovir
  • Ganciclovir Triacetate
  • PEZKHGVZZSQDPY-UHFFFAOYSA-N
  • BCP12229
  • AK543214
  • 357T144
  • A841614
  • 2-((2-acetamido-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy)propane-1,3-diyl diacetate

MDL Number

MFCD08457700

FAQ

What are the physical and chemical properties of 2-[(2-Acetamido-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]-1,3-propanediyl diacetate (CAS: 86357-14-4)?

2-[(2-Acetamido-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]-1,3-propanediyl diacetate forms crystalline white needles with a molecular weight of approximately 618.3 g/mol. It is moderately soluble in water and organic solvents. This compound exhibits moderate reactivity towards nucleophiles and is stable under acidic and neutral conditions.

How is 2-[(2-Acetamido-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]-1,3-propanediyl diacetate (CAS: 86357-14-4) typically synthesized?

2-[(2-Acetamido-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]-1,3-propanediyl diacetate is synthesized by acetylation of a purine derivative followed by a coupling reaction. The synthesis often involves the use of acetic anhydride and a catalyst like pyridine. The reaction conditions are typically mild, with moderate yields and good selectivity.

What industries use 2-[(2-Acetamido-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]-1,3-propanediyl diacetate (CAS: 86357-14-4)?

2-[(2-Acetamido-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]-1,3-propanediyl diacetate has applications in the pharmaceutical industry, where it serves as an intermediate in the synthesis of bioactive compounds. It is also used in research and development for materials science, particularly in sensor technologies and as a component in some polymer formulations.

What precautions should be taken when handling 2-[(2-Acetamido-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]-1,3-propanediyl diacetate (CAS: 86357-14-4)?

When handling 2-[(2-Acetamido-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]-1,3-propanediyl diacetate, it is crucial to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated hood to minimize inhalation risks. Spills should be cleaned up immediately with caution, and the Material Safety Data Sheet (MSDS) should be consulted for specific spill procedures. This compound is not highly hazardous but requires proper handling to avoid potential skin irritation and inhalation exposure.

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