| Identification | More | [Name]
9-(4-Acetoxy-3-acetoxymethylbutyl)-2-amino-6-chloropurine | [CAS]
97845-60-8 | [Synonyms]
9-(4-ACETOXY-3-ACETOXYMETHYLBUT-1-YL)-2-AMINO-6-CHLOROPURINE
9-[4-Acetoxy-3-(acetoxymethyl)butyl]-2-amino-6-chl
9-(4-ACETOXY-3-ACETOXYMETHYLBUT-1-YL)-2-AMINO-6-CHLOROPUINE
9-(4-Acetoxy-3-acetoxymethylbutyl)-2-amino-6-chloropurine | [EINECS(EC#)]
619-293-7 | [Molecular Formula]
C14H18ClN5O4 | [MDL Number]
MFCD08458206 | [Molecular Weight]
355.78 | [MOL File]
97845-60-8.mol |
| Chemical Properties | Back Directory | [Melting point ]
132-134 °C(Solv: isopropanol (67-63-0)) | [Boiling point ]
575.0±60.0 °C(Predicted) | [density ]
1.49±0.1 g/cm3(Predicted) | [vapor pressure ]
0Pa at 25℃ | [storage temp. ]
under inert gas (nitrogen or Argon) at 2–8 °C | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
2.23±0.10(Predicted) | [color ]
Off-White to Light Yellow | [Major Application]
pharmaceutical small molecule | [InChI]
InChI=1S/C14H18ClN5O4/c1-8(21)23-5-10(6-24-9(2)22)3-4-20-7-17-11-12(15)18-14(16)19-13(11)20/h7,10H,3-6H2,1-2H3,(H2,16,18,19) | [InChIKey]
KXPSHSVVYGZKAV-UHFFFAOYSA-N | [SMILES]
C(OC(=O)C)C(CCN1C2C(N=C1)=C(Cl)N=C(N)N=2)COC(=O)C | [LogP]
0.92 at 25℃ and pH9.1 | [CAS DataBase Reference]
97845-60-8(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Uses]
9-[4-Acetoxy-3-(acetoxymethyl)butyl]-2-amino-6-chloropurine is an impurity of Famciclovir (F101125), an antiviral agent and a prodrug of Penciclovir (P221500). | [Synthesis]
9-(4-Acetoxy-3-acetoxymethylbutyl)-2-amino-6-chloropurine through a four-step synthesis: steps. 1) Preparation of 1,3-diacetoxy-2-bromopropane: 1,3-Dichloro-2-propanol reacts with potassium acetate and ammonium chloride in DMF. After work-up and reaction |
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