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CAS 147539-23-9

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tert-butyl 4-(6-chloro-5-nitropyrimidin-4-yl)piperazine-1-carboxylate

Description:
Tert-butyl 4-(6-chloro-5-nitropyrimidin-4-yl)piperazine-1-carboxylate is a chemical compound characterized by its complex structure, which includes a piperazine ring, a tert-butyl group, and a pyrimidine derivative. The presence of the chloro and nitro substituents on the pyrimidine ring contributes to its potential biological activity, making it of interest in medicinal chemistry. The tert-butyl group enhances the lipophilicity of the molecule, which can influence its pharmacokinetic properties. This compound is typically synthesized through multi-step organic reactions, involving the formation of the piperazine ring and subsequent functionalization to introduce the pyrimidine moiety. Its molecular properties, such as solubility and stability, are influenced by the functional groups present. As with many compounds containing halogens and nitro groups, it may exhibit specific reactivity patterns, making it relevant for further chemical modifications or applications in drug development. Safety and handling precautions are essential due to the potential toxicity associated with some of its components.
Formula:C13H18ClN5O4
InChI:InChI=1/C13H18ClN5O4/c1-13(2,3)23-12(20)18-6-4-17(5-7-18)11-9(19(21)22)10(14)15-8-16-11/h8H,4-7H2,1-3H3
SMILES:CC(C)(C)OC(=O)N1CCN(CC1)c1c(c(Cl)ncn1)N(=O)=O
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