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Ethyl 4-chloro-2-cyclopropylpyrimidine-5-carboxylate

  • CAS No. 1044770-40-2

  • Cat. No. CS-0041915
  • Molecule weight226.66
  • Purity≥95%
  • MDL No.None

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

Ethyl 4-chloro-2-cyclopropylpyrimidine-5-carboxylate|CS-0041915

Structure of 1044770-40-2

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General Information

  • CAS No. 1044770-40-2
  • Cat. No. CS-0041915
  • Purity ≥95%
  • MDL No. None
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁ClN₂O₂
  • Molecular Weight 226.66
  • Synonym(s) Ethyl 4-chloro-2-cyclopropyl-5-pyrimidinecarboxylate
  • SMILES O=C(C1=CN=C(C2CC2)N=C1Cl)OCC

Description

Ethyl 4-chloro-2-cyclopropylpyrimidine-5-carboxylate features a sterically constrained cyclopropyl group and a chlorinated pyrimidine core, enabling precise integration into kinase inhibitor scaffolds. The ester functionality offers synthetic versatility for downstream derivatization under standard conditions.

Application

Ethyl 4-chloro-2-cyclopropylpyrimidine-5-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient construction of pyrimidine-based scaffolds. The molecule combines a reactive chloro group at C4 with a cyclopropyl substituent and an ester-functionalized C5 position, offering orthogonal reactivity for nucleophilic substitution and transition-metal-catalyzed coupling. Its bench-stable nature and compatibility with standard purification methods make it well-suited for iterative synthesis workflows targeting heterocyclic APIs.

Safety Information

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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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   52.08
  • LogP   2.1841
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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