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CS-W001157 4
Total: USD 88.00

2,2,2-Trifluoro-1-(p-tolyl)ethanol

  • CAS No. 446-65-1

  • Cat. No. CS-W021468
  • Molecule weight190.16
  • Purity≥95%
  • MDL No.MFCD00233111

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

2,2,2-Trifluoro-1-(p-tolyl)ethanol|CS-W021468

Structure of 446-65-1

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General Information

  • CAS No. 446-65-1
  • Cat. No. CS-W021468
  • Purity ≥95%
  • MDL No. MFCD00233111
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉F₃O
  • Molecular Weight 190.16
  • Synonym(s) alpha-(Trifluoromethyl)-4-methylbenzyl Alcohol
  • SMILES CC1=CC=C(C(O)C(F)(F)F)C=C1

Description

2,2,2-Trifluoro-1-(p-tolyl)ethanol features a trifluoromethyl group adjacent to a benzylic alcohol, delivering enhanced stability and polarity. The para-tolyl substituent imparts favorable solubility and steric profile, enabling efficient incorporation into chiral syntheses. This bench-stable compound serves as a key building block in asymmetric catalysis and pharmaceutical intermediates.

Application

2,2,2-Trifluoro-1-(p-tolyl)ethanol serves as a stable, bench-friendly building block for fluorinated aromatic systems. Its trifluoromethyl group enhances metabolic stability and lipophilicity, while the benzylic alcohol enables straightforward derivatization via oxidation, protection, or coupling reactions. This compound functions effectively in the synthesis of bioactive molecules and fluorinated pharmaceutical intermediates, offering predictable reactivity and excellent functional group tolerance in standard organic transformations.

Synthesis

  • Route1

    References

    • Liu, Qingyun; Zambrowicz, Brian Patent: US2009/29993 A1, 2009 ; US 20090029993 A1
  • Route2
    • null|null
      75-46-7
    • In-stock
      p-Tolualdehyde|CS-W013576
      104-87-0
    • ~73%
    • In-stock
      2,2,2-Trifluoro-1-(p-tolyl)ethanol|CS-W021468
      446-65-1

    References

    • Kawai, Hiroyuki; Yuan, Zhe; Tokunaga, Etsuko; Shibata, Norio Organic and Biomolecular Chemistry, 2013 , vol. 11, # 9 p. 1446 - 1450
  • Route3

    References

    • Cheng, Huicheng; Pei, Yu; Leng, Faqiang; Li, Jingya; Liang, Apeng; Zou, Dapeng; Wu, Yangjie; Wu, Yusheng Tetrahedron Letters, 2013 , vol. 54, # 33 p. 4483 - 4486

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   20.23
  • LogP   2.59072
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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