Compound Q&A
How is S-[(2E)-2-{[(4-Amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino}-5-(phosphonooxy)-2-penten-3-yl] (2E)-3-phenyl-2-propenethioate (CAS: 751-21-3) typically synthesized?
Answer
amino}-5-(phosphonooxy)-2-penten-3-yl] (2E)-3-phenyl-2-propenethioate](https://static.chemtradehub.com/structs/751/751-21-3-2e6a.webp "S-[(2E)-2-{[(4-Amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino}-5-(phosphonooxy)-2-penten-3-yl] (2E)-3-phenyl-2-propenethioate")
The synthesis of this compound involves multiple steps, typically including alkylation, phosphonation, and coupling reactions. Commonly, it is synthesized from 4-amino-2-methyl-5-pyrimidinylmethylamine, formaldehyde, and a phosphonic acid derivative. The reaction involves the formation of a phosphonate ester, followed by the coupling with a 3-phenyl-2-propenethioate derivative. The overall process requires careful control of pH and temperature to achieve high yield and selectivity.
About
CAS No
751-21-3
English Name
S-[(2E)-2-{[(4-Amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino}-5-(phosphonooxy)-2-penten-3-yl] (2E)-3-phenyl-2-propenethioate
Molecular Formula
C21H25N4O6PS
Molecular Weight
493.5 g/mol
SMILES
CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOP(=O)(O)O)SC(=O)C=CC2=CC=CC=C2)C
InChIKey
LHNAQHBDWJZZKV-NSFODXNUSA-N
Last Updated: 2025-10-19 13:36
amino}-5-(phosphonooxy)-2-penten-3-yl] (2E)-3-phenyl-2-propenethioate — Hubei Chenghai Chemical Co., Ltd.](https://static.chemtradehub.com/suppliers/67ce17ff57537e5c8069b2e9/67ce17ff57537e5c8069b2e9-logo.webp){kind=logo}