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Methyl 4-fluoro-1H-pyrrole-2-carboxylate

  • CAS No. 475561-89-8

  • Cat. No. CS-0061832
  • Molecule weight143.12
  • Purity≥97%
  • MDL No.None

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

Methyl 4-fluoro-1H-pyrrole-2-carboxylate|CS-0061832

Structure of 475561-89-8

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General Information

  • CAS No. 475561-89-8
  • Cat. No. CS-0061832
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₆FNO₂
  • Molecular Weight 143.12
  • Synonym(s) Methyl 4-Fluoropyrrole-2-carboxylate
  • SMILES COC(=O)C1=CC(=CN1)F

Synthesis

  • Route1
    • null|null
      915230-15-8
    • ~79%
    • In-stock
      Methyl 4-fluoro-1H-pyrrole-2-carboxylate|CS-0061832
      475561-89-8

    References

    • ADDEX PHARMACEUTICALS SA Patent: WO2006/123257 A2, 2006 ; Location in patent: Page/Page column 71 ; WO 2006/123257 A2
  • Route2

    References

    • Leroy, Jacques; Porhiel, Emmanuel; Bondon, Arnaud Tetrahedron, 2002 , vol. 58, # 33 p. 6713 - 6722
  • Route3

    References

    • BRISTOL-MYERS SQUIBB COMPANY; WROBLESKI, Stephen T.; JAGABANDHU, Das; DOWEYKO, Lidia M.; GUO, Junqing; HYNES, John; JIANG, Bin; KEMPSON, James; LIN, Shuqun; SPERGEL, Steven H.; TOKARSKI, John S.; WU, Hong; YANG, Bingwei Vera Patent: WO2012/125887 A1, 2012 ; WO 2012/125887 A1

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   42.09
  • LogP   0.9404
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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