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CS-W001157 4
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4-((4-Ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)aniline

  • CAS No. 630125-91-6

  • Cat. No. CS-M1925
  • Molecule weight287.32
  • Purity≥98%
  • MDL No.MFCD09909923

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

4-((4-Ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)aniline|CS-M1925

Structure of 630125-91-6

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General Information

  • CAS No. 630125-91-6
  • Cat. No. CS-M1925
  • Purity ≥98%
  • MDL No. MFCD09909923
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₂₀F₃N₃
  • Molecular Weight 287.32
  • Synonym(s) 4-(4-ethylpiperazinyl)phenylamine
  • SMILES FC(F)(F)C(C=C1N)=C(C=C1)CN(CC2)CCN2CC

Description

This trifluoromethyl-substituted aniline features a piperazine-derived side chain that enhances solubility and modulates electronic properties. The ethylpiperazinylmethyl group imparts favorable pharmacokinetic characteristics, while the electron-withdrawing trifluoromethyl moiety stabilizes the aromatic system. Designed for use in medicinal chemistry applications, this scaffold enables efficient incorporation into bioactive molecules under standard coupling conditions.

Application

4-((4-Ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)aniline serves as a versatile building block in medicinal chemistry, enabling the construction of diverse heterocyclic scaffolds through standard coupling and cyclization reactions. The piperazine moiety provides enhanced solubility and hydrogen-bonding capacity, while the trifluoromethyl group imparts metabolic stability and modulates lipophilicity. Its bench-stable nature and compatibility with common functional groups facilitate straightforward purification and integration into multi-step syntheses.

Synthesis

  • Route1
    • null|null
      859027-20-6
    • ~97%
    • In-stock
      4-((4-Ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)aniline|CS-M1925
      630125-91-6

    References

    • HANMI PHARM CO., LTD.; BAE, In Hwan; SON, Jung Beom; HAN, Sang Mi; KWAK, Eun Joo; KIM, Ho Seok; SONG, Ji Young; BYUN, Eun Young; JUN, Seung Ah; AHN, Young Gil; SUH, Kwee Hyun Patent: WO2013/100632 A1, 2013 ; Location in patent: Page/Page column 37 ;
  • Route2
    • null|null
      630125-92-7
    • ~87%
    • In-stock
      4-((4-Ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)aniline|CS-M1925
      630125-91-6

    References

    • Shieh, Wen-Chung; Mckenna, Joe; Sclafani, Joseph A.; Xue, Song; Girgis, Michael; Vivelo, James; Radetich, Branko; Prasad, Kapa Organic Process Research and Development, 2008 , vol. 12, # 6 p. 1146 - 1155
  • Route3
    • null|null
      5308-25-8
    • In-stock
      4-Amino-2-(trifluoromethyl)benzaldehyde|CS-0006993
      876322-73-5
    • ~81%
    • In-stock
      4-((4-Ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)aniline|CS-M1925
      630125-91-6
    • (4-Amino-2-(trifluoromethyl)phenyl)methanol|CS-0371058
      900254-46-8

    References

    • Shieh, Wen-Chung; Mckenna, Joe; Sclafani, Joseph A.; Xue, Song; Girgis, Michael; Vivelo, James; Radetich, Branko; Prasad, Kapa Organic Process Research and Development, 2008 , vol. 12, # 6 p. 1146 - 1155

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   32.5
  • LogP   2.4251
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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