Compound Q&A

How is 5(6)-ROX (CAS: 198978-94-8) typically synthesized?

Answer

5(6)-ROX
5(6)-ROX (CAS: 198978-94-8) is typically synthesized through a multi-step process involving the preparation of a key intermediate. The synthesis requires the use of a palladium catalyst and involves the coupling of a 5-aminopyrimidine derivative with a 6-bromopyrimidine. The reaction is carried out in the presence of a base, and high selectivity and yield are achieved.

About

English Name 5(6)-ROX
Molecular Formula C66H60N4O10
Molecular Weight 1069.2 g/mol
SMILES OC(=O)c1ccc(c(c1)C1=c2cc3CCC[N+]4=c3c(c2Oc2c1cc1CCCN3c1c2CCC3)CCC4)C(=O)[O-].OC(=O)c1ccc(c(c1)C(=O)[O-])C1=c2cc3CCC[N+]4=c3c(c2Oc2c1cc1CCCN3c1c2CCC3)CCC4
InChIKey KLNOCCPJAOCRHF-UHFFFAOYSA-N
Last Updated: 2025-11-01 12:59

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