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CS-W001157 4
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Ethyl 4-chloro-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate

  • CAS No. 310442-94-5

  • Cat. No. CS-0049464
  • Molecule weight253.68
  • Purity95+%
  • MDL No.None

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

Ethyl 4-chloro-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate|CS-0049464

Structure of 310442-94-5

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General Information

  • CAS No. 310442-94-5
  • Cat. No. CS-0049464
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂ClN₃O₂
  • Molecular Weight 253.68
  • Synonym(s) Pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid, 4-chloro-5-ethyl-, ethyl ester
  • SMILES CCOC(=O)C1=CN2N=CN=C(Cl)C2=C1CC

Synthesis

  • Route1
    • Ethyl 5-ethyl-4-hydroxypyrrolo[2,1-f][1,2,4]triazine-6-carboxylate|CS-0049439
      310436-60-3
    • ~%
    • Ethyl 4-chloro-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate|CS-0049464
      310442-94-5

    References

    • Bristol Myers Squibb Company Patent: US6982265 B1, 2006 ; Location in patent: Page/Page column 94 ;
  • Route2
    • null|null
      2999-46-4
    • ~%
    • Ethyl 4-chloro-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate|CS-0049464
      310442-94-5

    References

    • Fink, Brian E.; Vite, Gregory D.; Mastalerz, Harold; Kadow, John F.; Kim, Soong-Hoon; Leavitt, Kenneth J.; Du, Karen; Crews, Donald; Mitt, Toomas; Wong, Tai W.; Hunt, John T.; Vyas, Dolatrai M.; Tokarski, John S. Bioorganic and Medicinal Chemistry Letters, 2005 , vol. 15, # 21 p. 4774 - 4779
  • Route3
    • 2,4-Diethyl 3-ethyl-1H-pyrrole-2,4-dicarboxylate|CS-0057289
      52921-22-9
    • ~%
    • Ethyl 4-chloro-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate|CS-0049464
      310442-94-5

    References

    • Fink, Brian E.; Vite, Gregory D.; Mastalerz, Harold; Kadow, John F.; Kim, Soong-Hoon; Leavitt, Kenneth J.; Du, Karen; Crews, Donald; Mitt, Toomas; Wong, Tai W.; Hunt, John T.; Vyas, Dolatrai M.; Tokarski, John S. Bioorganic and Medicinal Chemistry Letters, 2005 , vol. 15, # 21 p. 4774 - 4779

Safety Information

Download SDS
GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   56.49
  • LogP   2.1218
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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