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CS-W001157 4
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(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethylamine

  • CAS No. 127733-47-5

  • Cat. No. CS-0000154
  • Molecule weight257.18
  • Purity≥97%
  • MDL No.MFCD03093012

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

(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethylamine|CS-0000154

Structure of 127733-47-5

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General Information

  • CAS No. 127733-47-5
  • Cat. No. CS-0000154
  • Purity ≥97%
  • MDL No. MFCD03093012
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉F₆N
  • Molecular Weight 257.18
  • Synonym(s) Benzenemethanamine, α-methyl-3,5-bis(trifluoromethyl)-, (αR)-
  • SMILES FC(F)(F)C1=CC(C(F)(F)F)=CC([C@@H](C)N)=C1

Synthesis

  • Route1
    • null|null
      384824-41-3
    • null|null
      511256-29-4
    • ~0%
    • (S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethylamine|CS-0000153
      127733-40-8
    • (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethylamine|CS-0000154
      127733-47-5

    References

    • Central Glass Company, Limited Patent: US6797842 B2, 2004 ; Location in patent: Page column 19 ;
  • Route2
    • null|null
      511256-29-4
    • ~99%
    • (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethylamine|CS-0000154
      127733-47-5

    References

    • Kanai, Masatomi; Yasumoto, Manabu; Kuriyama, Yokusu; Inomiya, Kenjin; Katsuhara, Yutaka; Higashiyama, Kimio; Ishii, Akihiro Organic Letters, 2003 , vol. 5, # 7 p. 1007 - 1010
  • Route3
    • 1-[3,5-Bis(trifluoromethyl)phenyl]ethanone Aprepitant Impurity|CS-0228740
      30071-93-3
    • ~%
    • (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethylamine|CS-0000154
      127733-47-5

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 14, # 13 p. 3401 - 3406

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   3.7439
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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