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CS-W001157 4
Total: USD 88.00

2-(Difluoromethyl)benzaldehyde

  • CAS No. 1018678-50-6

  • Cat. No. CS-W000088
  • Purity≥96%
  • MDL No.MFCD16875639

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

2-(Difluoromethyl)benzaldehyde|CS-W000088

Structure of 1018678-50-6

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General Information

  • CAS No. 1018678-50-6
  • Cat. No. CS-W000088
  • Purity ≥96%
  • MDL No. MFCD16875639
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₂O
  • Molecular Weight 156.13
  • Synonym(s) 2-Formylbenzal fluoride, alpha,alpha-Difluoro-o-tolualdehyde
  • SMILES O=Cc1ccccc1C(F)F

Description

2-(Difluoromethyl)benzaldehyde features a difluoromethyl group directly attached to the benzene ring, conferring enhanced metabolic stability and lipophilicity. This electron-deficient aldehyde integrates readily into synthetic scaffolds for medicinal chemistry, enabling efficient access to fluorinated heterocycles and bioactive compounds under standard conditions.

Application

2-(Difluoromethyl)benzaldehyde serves as a versatile building block in medicinal chemistry, enabling the incorporation of a difluoromethyl group adjacent to an aldehyde functionality. Its stability under standard reaction conditions facilitates downstream transformations such as reductive amination, Wittig reactions, and nucleophilic additions. The molecule functions as a key intermediate in the synthesis of fluorinated heterocycles and bioactive scaffolds, offering enhanced metabolic stability and modulated lipophilicity.

Synthesis

  • Route1
    • In-stock
      1-Bromo-2-(difluoromethyl)benzene|CS-W000083
      845866-82-2
    • null|null
      68-12-2
    • ~95%
    • In-stock
      2-(Difluoromethyl)benzaldehyde|CS-W000088
      1018678-50-6

    References

    • WO2010/37127 A1, ; Page/Page column 104 ;
  • Route2

    References

    • US2008/85887 A1, ; Page/Page column 21 ; US 20080085887 A1
  • Route3
    • In-stock
      2-Iodobenzaldehyde|CS-W007846
      26260-02-6
    • null|null
      1438388-96-5
    • ~70%
    • In-stock
      2-(Difluoromethyl)benzaldehyde|CS-W000088
      1018678-50-6

    References

    • Angewandte Chemie - International Edition, , vol. 51, # 48 p. 12090 - 12094 Angew. Chem., , vol. 124, # 48 p. 12256 - 12260,5

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H319
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   17.07
  • LogP   2.4367
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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