| Identification | More | [Name]
N,9-Diacetylguanine | [CAS]
3056-33-5 | [Synonyms]
2,9-DAG
2,9-DIACETATEGUANINE
2,9-DIACETYLGUANINE
2-ACETYLAMINO-6-OXO-9-ACETYLPURINE
(9-acetyl-6,9-dihydro-6-oxo-1h-purin-2-yl)acetamide
DIACETYL GUANINE
N2,9-DIACETYLGUANINE
N,9-DIACETYLGUANINE
9-diacetylguanine
2,9-Guanine Diacetate
N-(9-acetyl-6,9-dihydro-6-oxo-1H-purin-2-yl)acetamide
2,9-DIACETYLGUANINE(DIACETYLGUANINE)
N2,9-DIACETYLGUANINE (DIACETYL GUANINE)
N2,9-DIACETYLGUANINE [DIACETYL GUANINE]ACYCLOVIR
2-Acetamido-9-acetyl-6-oxopurine
N(sup 2),9-diacetylguanine
2-(Acetylamino)-9-acetyl-1,9-dihydro-6H-purine-6-one
2-(Acetylamino)-9-acetyl-9H-purine-6(1H)-one | [EINECS(EC#)]
221-287-0 | [Molecular Formula]
C9H9N5O3 | [MDL Number]
MFCD00142116 | [Molecular Weight]
235.2 | [MOL File]
3056-33-5.mol |
| Chemical Properties | Back Directory | [Appearance]
white or brownish crystalline powder | [Melting point ]
285 °C(lit.)
| [density ]
1.67±0.1 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Aqueous Base (Slightly, Heated), DMSO (Slightly, Heated) | [form ]
Solid | [pka]
8.37±0.20(Predicted) | [color ]
White to Light Beige | [InChI]
InChI=1S/C9H9N5O3/c1-4(15)11-9-12-7-6(8(17)13-9)10-3-14(7)5(2)16/h3H,1-2H3,(H2,11,12,13,15,17) | [InChIKey]
GILZZWCROUGLIS-UHFFFAOYSA-N | [SMILES]
C(NC1NC(=O)C2=C(N=1)N(C(C)=O)C=N2)(=O)C | [CAS DataBase Reference]
3056-33-5(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [HS Code ]
29339900 |
| Hazard Information | Back Directory | [Chemical Properties]
white or brownish crystalline powder | [Uses]
N2,9-Diacetylguanine (Acicclovir EP Impurity L) is used to synthesize acyclic analogues of deoxyguanosine. | [Application]
The alkylation of N2,N9- diacetylguanine (DAG) with 2-oxa-1, 4-butane-dioldiacetate to give N2-acetyl-9-{2-acetoxyethoxymethyl}- guanine (N9 isomer) and/or N2-acetyl-7-{2-acetoxyethoxymethyl}- guanine (N7 isomer) in exceptionally high regioselectivity[1].
| [References]
[1] Dharmendra Singh, Ashok Kumar, Mukesh J. Wani. “A Simple Solution to the Age Old Problem of Regioselective Functionalization of Guanine: First Practical Synthesis of Acyclic N9- and/or N7-Guanine Nucleosides Starting from N2,N9-Diacetylguanine.” The Journal of Organic Chemistry 64 13 (1999): 4665–4668.
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