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CS-W001157 4
Total: USD 88.00

(S)-2-(2-Amino-5-chloro-phenyl)-4-cyclopropyl-1,1,1-trifluoro-but-3-yn-2-ol

  • CAS No. 209414-27-7

  • Cat. No. CS-0341179
  • Molecule weight289.68
  • Purity95+%
  • MDL No.None

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

(S)-2-(2-Amino-5-chloro-phenyl)-4-cyclopropyl-1,1,1-trifluoro-but-3-yn-2-ol|CS-0341179

Structure of 209414-27-7

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General Information

  • CAS No. 209414-27-7
  • Cat. No. CS-0341179
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₁ClF₃NO
  • Molecular Weight 289.68
  • Synonym(s) (S)-5-Chloro-alpha-(cyclopropylethynyl)-2-amino-alpha-(trifluoromethyl)-benzenemethanol
  • SMILES C1CC1C#C[C@](C2=C(C=CC(=C2)Cl)N)(C(F)(F)F)O

Description

4-Hexen-3-one is an unsaturated aldehyde that is reported to occur in strawberry fruit, essential oil of Ruta graveolens and Holigarna grahamii leaves. Due to its fruity fragrance, it is also used in the perfume industry.

Synthesis

  • Route1

    References

    • MERCK and CO., INC. Patent: EP981520 B1, 2004 ; Location in patent: Page 23; 25; 26 ;
  • Route2
    • In-stock
      4-Chloro-2-(trifluoroacetyl)aniline|CS-0060346
      154598-53-5
    • null|null
      216006-64-3
    • ~95%
    • (S)-2-(2-Amino-5-chloro-phenyl)-4-cyclopropyl-1,1,1-trifluoro-but-3-yn-2-ol|CS-0341179
      209414-27-7

    References

    • MERCK and CO., INC. Patent: EP1017666 B1, 2003 ; Location in patent: Page/Page column 6; 11-12 ;
  • Route3
    • null|null
      14267-92-6
    • In-stock
      4-Chloro-2-(trifluoroacetyl)aniline|CS-0060346
      154598-53-5
    • ~92%
    • (S)-2-(2-Amino-5-chloro-phenyl)-4-cyclopropyl-1,1,1-trifluoro-but-3-yn-2-ol|CS-0341179
      209414-27-7

    References

    • MERCK and CO., INC. Patent: EP981520 B1, 2004 ; Location in patent: Page 29 ;

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46.25
  • LogP   3.0855
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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