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CS-W001157 4
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Tert-butyl 3-(chloromethyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate

  • CAS No. 144657-68-1

  • Cat. No. CS-0446810
  • Purity≥98%
  • MDL No.None

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

Tert-butyl 3-(chloromethyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate|CS-0446810

Structure of 144657-68-1

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General Information

  • CAS No. 144657-68-1
  • Cat. No. CS-0446810
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₅ClN₂O₂
  • Molecular Weight 266.72
  • Synonym(s) tert-butyl 3-(chloromethyl)pyrrolo[2,3-b]pyridine-1-carboxylate
  • SMILES CC(C)(C)OC(=O)N1C=C(CCl)C2=C1N=CC=C2

Synthesis

  • Route1
    • Tert-butyl 3-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate|CS-0362674
      144657-67-0
    • ~46%
    • Tert-butyl 3-(chloromethyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate|CS-0446810
      144657-68-1

    References

    • Sanchez-Obregon, Ruben; Fallis, Alex G.; Szabo, Arthur G. Canadian Journal of Chemistry, 1992 , vol. 70, # 5 p. 1531 - 1536
  • Route2
    • null|null
      108-23-6
    • Tert-butyl 3-((dimethylamino)methyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate|CS-0552451
      144657-65-8
    • ~78%
    • Tert-butyl 3-(chloromethyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate|CS-0446810
      144657-68-1

    References

    • PLEXXIKON, INC. Patent: WO2008/63888 A2, 2008 ; Location in patent: Page/Page column 60 ;
  • Route3
    • Tert-butyl 3-((dimethylamino)methyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate|CS-0552451
      144657-65-8
    • ~12%
    • Tert-butyl 3-(chloromethyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate|CS-0446810
      144657-68-1

    References

    • ASCEPION PHARMACEUTICALS, INC.; JIANG, Shan; XING, Xinglong; WANG, Qishan; KONG, Ren Patent: WO2011/23081 A1, 2011 ; Location in patent: Page/Page column 54 ; WO 2011/023081 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅱ
Hazard Statements : H302-H314
Precautionary Statements : P260-P264-P270-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P330-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   44.12
  • LogP   3.5583
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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