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

  • CAS No. 427878-41-9

  • Cat. No. CS-0016355
  • Molecule weight239.66
  • Purity≥97%
  • MDL No.MFCD08448162

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

Ethyl 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate|CS-0016355

Structure of 427878-41-9

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General Information

  • CAS No. 427878-41-9
  • Cat. No. CS-0016355
  • Purity ≥97%
  • MDL No. MFCD08448162
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀ClN₃O₂
  • Molecular Weight 239.66
  • Synonym(s) 4-CHLORO-5-METHYLPYRROLO[2,1-F][1,2,4]TRIAZINE-6-CARBOXYLATE
  • SMILES ClC1=NC=NN2C1=C(C(C(OCC)=O)=C2)C

Synthesis

  • Route1

    References

    • Gavai, Ashvinikumar V.; Fink, Brian E.; Fairfax, David J.; Martin, Gregory S.; Rossiter, Lana M.; Holst, Christian L.; Kim, Soong-Hoon; Leavitt, Kenneth J.; Mastalerz, Harold; Han, Wen-Ching; Norris, Derek; Goyal, Bindu; Swaminathan, Shankar; Patel, Bharat; Mathur, Arvind; Vyas, Dolatrai M.; Tokarski, John S.; Chiang, Yu; Oppenheimer, Simone; Hongjian, Zhang; Marathe, Punit; Fargnoli, Joseph; Lee, Francis Y.; Wong, Tai W.; Vite, Gregory D. Journal of Medicinal Chemistry, 2009 , vol. 52, # 21 p. 6527 - 6530
  • Route2
    • In-stock
      Ethyl 5-methyl-4-oxo-1,4-dihydropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate|CS-M1177
      427878-70-4
    • null|null
      21295-50-1
    • ~99%
    • Ethyl 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate|CS-0016355
      427878-41-9

    References

    • BRISTOL-MYERS SQUIBB COMPANY Patent: WO2004/9542 A2, 2004 ; Location in patent: Page 27 ; WO 2004/009542 A2
  • Route3
    • Diethyl 3-methyl-1H-pyrrole-2,4-dicarboxylate|CS-M1178
      5448-16-8
    • ~%
    • Ethyl 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate|CS-0016355
      427878-41-9

    References

    • Shi, Zhongping; Kiau, Susanne; Lobben, Paul; Hynes Jr., John; Wu, Hong; Parlanti, Luca; Discordia, Robert; Doubleday, Wendel W.; Leftheris, Katerina; Dyckman, Alaric J.; Wrobleski, Stephen T.; Dambalas, Konstantinos; Tummala, Srinivas; Leung, Simon; Lo, Ehrlic Organic Process Research and Development, 2012 , vol. 16, # 10 p. 1618 - 1625

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   56.49
  • LogP   1.86782
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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