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CS-W001157 4
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Methyl 2,6-dichloro-5-iodopyrimidine-4-carboxylate

  • CAS No. 1136962-00-9

  • Cat. No. CS-0335299
  • Purity≥97%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

Methyl 2,6-dichloro-5-iodopyrimidine-4-carboxylate|CS-0335299

Structure of 1136962-00-9

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General Information

  • CAS No. 1136962-00-9
  • Cat. No. CS-0335299
  • Purity ≥97%
  • MDL No. None
  • Storage -20°C, sealed storage, away from moisture and light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃Cl₂IN₂O₂
  • Molecular Weight 332.91
  • Synonym(s) Methyl 2,6-dichloro-5-iodo-4-pyrimidinecarboxylate
  • SMILES COC(=O)C1=C(C(=NC(=N1)Cl)Cl)I

Description

Methyl 2,6-dichloro-5-iodopyrimidine-4-carboxylate features a pyrimidine core functionalized with chlorine, iodine, and ester groups, enabling direct incorporation into cross-coupling reactions. The electron-deficient ring system facilitates palladium-catalyzed transformations, while the methyl ester provides a handle for downstream derivatization. This bench-stable reagent streamlines access to substituted pyrimidines in medicinal chemistry and agrochemical development.

Synthesis

  • Route1

    References

    • Dow AgroSciences LLC Patent: US2009/88322 A1, 2009 ; Location in patent: Page/Page column 4; 10 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   52.08
  • LogP   2.1746
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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