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CS-W001157 4
Total: USD 88.00

1-(4-(Trifluoromethyl)phenyl)ethanamine

  • CAS No. 15996-84-6

  • Cat. No. CS-0077580
  • Purity≥97%
  • MDL No.MFCD04038878

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

1-(4-(Trifluoromethyl)phenyl)ethanamine|CS-0077580

Structure of 15996-84-6

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General Information

  • CAS No. 15996-84-6
  • Cat. No. CS-0077580
  • Purity ≥97%
  • MDL No. MFCD04038878
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀F₃N
  • Molecular Weight 189.18
  • Synonym(s) 1-[4-(trifluoromethyl)phenyl]ethanamine
  • SMILES NC(C)C1=CC=C(C(F)(F)F)C=C1

Description

1-(4-(Trifluoromethyl)phenyl)ethanamine features a trifluoromethyl-substituted aryl group that imparts enhanced metabolic stability and lipophilicity. This electron-deficient phenyl moiety enables efficient coupling in cross-coupling reactions, while the pendant ethanamine functionality offers a versatile handle for further derivatization in medicinal chemistry and materials synthesis.

Application

1-(4-(Trifluoromethyl)phenyl)ethanamine serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its trifluoromethyl aryl group imparts enhanced metabolic stability and lipophilicity, while the primary amine facilitates straightforward derivatization via acylation, alkylation, or coupling reactions. The compound exhibits good bench stability and is compatible with standard purification techniques, making it well-suited for iterative synthetic campaigns in API development.

Synthesis

  • Route1

    References

    • Talwar, Dinesh; Salguero, Noemi Poyatos; Robertson, Craig M.; Xiao, Jianliang Chemistry - A European Journal, 2014 , vol. 20, # 1 p. 245 - 252
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      1-(4-(Trifluoromethyl)phenyl)ethanamine|CS-0077580
      15996-84-6

    References

    • Journal of Medicinal Chemistry, , vol. 10, p. 833 - 840
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    • In-stock
      1-(4-(Trifluoromethyl)phenyl)ethanamine|CS-0077580
      15996-84-6

    References

    • US2004/157849 A1, ; US 20040157849 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H319
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   2.7251
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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