| Identification | More | [Name]
N4-Acetylcytosine | [CAS]
14631-20-0 | [Synonyms]
LABOTEST-BB LT00012625
N4-ACETYLCYTOSINE
N-ACETYLCYTOSINE
n-(1,2-dihydro-2-oxo-4-pyrimidinyl)-acetamid
4-Acetylamino-2-hydroxypyrimidine
N-Acetocytosine
N(4)-Acetylcytosine,98%
N-Actyl cytosine
N(sup 4)-acetylcytosine
4-(Acetylamino)pyrimidine-2(1H)-one
N-(2-Oxo-1,2-dihydropyrimidine-4-yl)acetamide
N-[(2-Oxo-1,2-dihydropyrimidine)-4-yl]acetamide | [EINECS(EC#)]
619-683-7 | [Molecular Formula]
C6H7N3O2 | [MDL Number]
MFCD00134466 | [Molecular Weight]
153.14 | [MOL File]
14631-20-0.mol |
| Chemical Properties | Back Directory | [Melting point ]
>300 °C (lit.) | [density ]
1.41±0.1 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
DMSO (Sparingly), Methanol (Very Slightly) | [form ]
Solid | [pka]
7.60±0.10(Predicted) | [color ]
Off-White to Pale Beige | [BRN ]
138451 | [InChI]
InChI=1S/C6H7N3O2/c1-4(10)8-5-2-3-7-6(11)9-5/h2-3H,1H3,(H2,7,8,9,10,11) | [InChIKey]
IJCKBIINTQEGLY-UHFFFAOYSA-N | [SMILES]
C(NC1=CC=NC(=O)N1)(=O)C | [CAS DataBase Reference]
14631-20-0(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [WGK Germany ]
3
| [HS Code ]
29335990 |
| Hazard Information | Back Directory | [Chemical Properties]
Crstalline powder | [Uses]
N4-Acetylcytosine may be used in the preparation of cytidine. It may be used in the preparation of 1-(4-azido-4-deoxy-β-D-glucopyranosyl)cytosine. | [Definition]
ChEBI: N(4)-acetylcytosine is a pyrimidone that is cytosine bearing an N(4)-acetyl substituent. It is a pyrimidone, a nucleobase analogue and a member of acetamides. It is functionally related to a cytosine. | [General Description]
Four stable conformers of N4-acetylcytosine, and the one of the stable form containing an intramoleuclar six-membered ring have been reported by theoretical calculations.The infrared and FT-Raman spectra of N4-acetylcytosine in the solid phase has been reported. | [Purification Methods]
If TLC or paper chromatography shows that it contains unacetylated cytosine, then reflux it in Ac2O for 4hours, cool at 3-4o for a few days, collect the crystals, wash them with cold H2O, then EtOH and dry at 100o. It is insoluble in EtOH and dissolves in H2O with difficulty, but crystallises in prisms from hot H2O. It is hydrolysed by 80% aqueous AcOH at 100o/1hour. [UV: Brown et al. J Chem Soc 2384 1956, Codington et al. J Am Chem Soc 80 5164 1958.] It forms an Hg salt [Fox et al. J Am Chem Soc 79 5060 1957]. [Beilstein 25 III/IV 3657.] |
|
|