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: 2023-11-16 17:07:08
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) |
 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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