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CS-W001157 4
Total: USD 88.00

Riluzole

  • CAS No. 1744-22-5

  • Cat. No. CS-2156
  • Purity≥98%
  • MDL No.MFCD00210213

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

Riluzole|CS-2156

Structure of 1744-22-5

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General Information

  • CAS No. 1744-22-5
  • Cat. No. CS-2156
  • Purity ≥98%
  • MDL No. MFCD00210213
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅F₃N₂OS
  • Molecular Weight 234.20
  • Synonym(s) PK 26124
  • SMILES NC1=NC2=CC=C(OC(F)(F)F)C=C2S1

Description

Important building block for chiral acyclics, cyclopentenones, and oxabicyclic systems. Also employed in studies on nonlinear optical materials.

Synthesis

  • Route1
    • In-stock
      4-(Trifluoromethoxy)aniline|CS-W017380
      461-82-5
    • null|null
      1147550-11-5
    • ~78%
    • In-stock
      Riluzole|CS-2156
      1744-22-5

    References

    • Anzini, Maurizio; Chelini, Alessia; Mancini, Alessandra; Cappelli, Andrea; Frosini, Maria; Ricci, Lorenzo; Valoti, Massimo; Magistretti, Jacopo; Castelli, Loretta; Giordani, Antonio; Makovec, Francesco; Vomero, Salvatore Journal of Medicinal Chemistry, 2010 , vol. 53, # 2 p. 734 - 744
  • Route2
    • In-stock
      4-(Trifluoromethoxy)aniline|CS-W017380
      461-82-5
    • null|null
      333-20-0
    • ~87%
    • In-stock
      Riluzole|CS-2156
      1744-22-5

    References

    • BRISTOL-MYERS SQUIBB COMPANY; UNIVERSITE DE MONTREAL; LAWRENCE, Michael, R.; MILLER, Michael, M.; SEIFFERT, Dietmar, Alfred; POSY, Shoshana, L.; WONG, Pancras, C.; BANVILLE, Jacques; RUEDIGER, Edward, H.; DEON, Daniel, H.; MARTEL, Alain; TREMBLAY, Francois; GUY, Julia; LAVALLEE, Jean-Francois; GAGNON, Marc Patent: WO2013/163244 A1, 2013 ; Location in patent: Paragraph 00205; 00206 ;
  • Route3

    References

    • Jordan, Alfonzo D.; Luo, Chi; Reitz, Allen B. Journal of Organic Chemistry, 2003 , vol. 68, # 22 p. 8693 - 8696

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅱ
Hazard Statements : H300
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   48.14
  • LogP   2.7771
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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