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(S)-2-((S)-1-(4-bromophenyl)-2,2,2-trifluoroethylamino)-4-fluoro-4-methylpentanoic acid

  • CAS No. 847358-98-9

  • Cat. No. CS-M1422
  • Purity≥95%
  • MDL No.MFCD22124677

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

(S)-2-((S)-1-(4-bromophenyl)-2,2,2-trifluoroethylamino)-4-fluoro-4-methylpentanoic acid|CS-M1422

Structure of 847358-98-9

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General Information

  • CAS No. 847358-98-9
  • Cat. No. CS-M1422
  • Purity ≥95%
  • MDL No. MFCD22124677
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₆BrF₄NO₂
  • Molecular Weight 386.18
  • Synonym(s) (2S)-2-[{(1S)-2,2,2-trifluoro-1-(4-bromophenyl)ethyl}amino]-4-fluoro-4-methylpentanoic acid
  • SMILES BrC1=CC=C(C=C1)[C@H](N[C@H](C(O)=O)CC(F)(C)C)C(F)(F)F

Synthesis

  • Route1
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      603142-95-6
    • ~%
    • (S)-2-((S)-1-(4-bromophenyl)-2,2,2-trifluoroethylamino)-4-fluoro-4-methylpentanoic acid|CS-M1422
      847358-98-9

    References

    • Bayly, Christopher I.; Black, Cameron; Leger, Serge; Li, Chun Sing; McKay, Dan; Mellon, Christophe; Gauthier, Jacques Yves; Truong, Vouy-Linh; Lau, Cheuk; Therien, Michel; Green, Michael J.; Hirschbein, Bernard L.; Janc, James William; Palmer, James T.; Baskaran, Chitra Patent: US2003/232863 A1, 2003 ; Location in patent: Page 57 ;

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H320-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   49.33
  • LogP   4.2335
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   6

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