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HomeProduct name listN4-Benzoylcytosine

N4-Benzoylcytosine

  • CAS NO.:26661-13-2
  • Empirical Formula: C11H9N3O2
  • Molecular Weight: 215.21
  • MDL number: MFCD00239434
  • EINECS: 628-907-2
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-11-01 18:09:03
N4-Benzoylcytosine Structural

What is N4-Benzoylcytosine?

Chemical properties

White or almost white crystalline powder

The Uses of N4-Benzoylcytosine

N4-Benzoylcytosine is a reactant in the synthesis of 1'',2''-cyclopentyl nucleosides as potential antiviral agents.

The Uses of N4-Benzoylcytosine

N4-Benzoylcytosine may be employed for the following syntheses:

  • 3′-C-ethynyl and 3′-C-(1,4-disubstituted-1,2,3-triazolo) double-headed pyranonucleosides
  • 2′-C-methyl-4′-thiocytidine, via the Pummerer reaction
  • 2′-fluorinated L-nucleoside analogs

General Description

N4-Benzoylcytosine is an amide and its anti-microbial activity against pathogenic microorganisms has been studied using the Disk Diffusion and the Pour Plate method. It can be synthesized via the condensation of benzoyl chloride with cytosine.

Properties of N4-Benzoylcytosine

Melting point: >300 °C (dec.) (lit.)
Density  1.33±0.1 g/cm3(Predicted)
vapor pressure  0Pa at 25℃
storage temp.  under inert gas (nitrogen or Argon) at 2-8°C
solubility  Aqueous Acid (Slightly, Heated), DMSO+DCl (Slightly, Heated)
form  Solid
pka 7.75±0.10(Predicted)
color  Off-White
InChI InChI=1S/C11H9N3O2/c15-10(8-4-2-1-3-5-8)13-9-6-7-12-11(16)14-9/h1-7H,(H2,12,13,14,15,16)
CAS DataBase Reference 26661-13-2(CAS DataBase Reference)

Safety information for N4-Benzoylcytosine

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for N4-Benzoylcytosine

InChIKey XBDUZBHKKUFFRH-UHFFFAOYSA-N
SMILES C(NC1=CC=NC(=O)N1)(=O)C1=CC=CC=C1

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