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Methyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-4-carboxylate

  • CAS No. 1190312-37-8

  • Cat. No. CS-0004468
  • Purity≥96%
  • MDL No.MFCD12962737

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

Methyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-4-carboxylate|CS-0004468

Structure of 1190312-37-8

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General Information

  • CAS No. 1190312-37-8
  • Cat. No. CS-0004468
  • Purity ≥96%
  • MDL No. MFCD12962737
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇ClN₂O₂
  • Molecular Weight 210.62
  • Synonym(s) 6-Chloro-7-azaindole-4-carboxylic acid Methyl ester
  • SMILES O=C(OC)C1=C2C(NC=C2)=NC(Cl)=C1

Synthesis

  • Route1

    References

    • SANOFI-AVENTIS Patent: US2011/184015 A1, 2011 ;
  • Route2

    References

    • Bengtsson, Christoffer; Blaho, Stefan; Saitton, David Blomberg; Brickmann, Kay; Broddefalk, Johan; Davidsson, Oejvind; Drmota, Tomas; Folmer, Rutger; Hallberg, Kenth; Hallen, Stefan; Hovland, Ragnar; Isin, Emre; Johannesson, Petra; Kull, Bengt; Larsson, Lars-Olof; Loefgren, Lars; Nilsson, Kristina E.; Noeske, Tobias; Oakes, Nick; Plowright, Alleyn T.; Schnecke, Volker; Sthlberg, Pernilla; Soerme, Pernilla; Wan, Hong; Wellner, Eric; Oester, Linda Bioorganic and Medicinal Chemistry, 2011 , vol. 19, # 10 p. 3039 - 3053

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

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Computational Chemistry Data

  • TPSA   54.98
  • LogP   2.0029
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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