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

  • CAS No. 310442-40-1

  • Cat. No. CS-0333167
  • Molecule weight225.63
  • Purity≥98%
  • MDL No.None

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

Methyl 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate|CS-0333167

Structure of 310442-40-1

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General Information

  • CAS No. 310442-40-1
  • Cat. No. CS-0333167
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈ClN₃O₂
  • Molecular Weight 225.63
  • Synonym(s) Pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid, 4-chloro-5-methyl-, methyl ester
  • SMILES CC1=C2C(=NC=NN2C=C1C(=O)OC)Cl

Synthesis

  • Route1
    • Methyl 5-methyl-4-oxo-3H,4H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate|CS-0048970
      310431-29-9
    • ~95%
    • Methyl 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate|CS-0333167
      310442-40-1

    References

    • Bristol Myers Squibb Company Patent: US6982265 B1, 2006 ; Location in patent: Page/Page column 38; 41 ;
  • Route2

    References

    • Borzilleri, Robert M.; Cai, Zhen-Wei; Ellis, Christopher; Fargnoli, Joseph; Fura, Aberra; Gerhardt, Tracy; Goyal, Bindu; Hunt, John T.; Mortillo, Steven; Qian, Ligang; Tokarski, John; Vyas, Viral; Wautlet, Barri; Zheng, Xioping; Bhide, Rajeev S. Bioorganic and Medicinal Chemistry Letters, 2005 , vol. 15, # 5 p. 1429 - 1433
  • Route3
    • Dimethyl 3-methyl-1H-pyrrole-2,4-dicarboxylate|CS-0054288
      3780-42-5
    • ~%
    • Methyl 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate|CS-0333167
      310442-40-1

    References

    • Borzilleri, Robert M.; Cai, Zhen-Wei; Ellis, Christopher; Fargnoli, Joseph; Fura, Aberra; Gerhardt, Tracy; Goyal, Bindu; Hunt, John T.; Mortillo, Steven; Qian, Ligang; Tokarski, John; Vyas, Viral; Wautlet, Barri; Zheng, Xioping; Bhide, Rajeev S. Bioorganic and Medicinal Chemistry Letters, 2005 , vol. 15, # 5 p. 1429 - 1433

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-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   56.49
  • LogP   1.47772
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   1

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