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CS-W001157 4
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4-(Chloromethyl)-2-fluoro-1-methoxybenzene

  • CAS No. 351-52-0

  • Cat. No. CS-0307715
  • Purity≥97%
  • MDL No.MFCD04973773

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

4-(Chloromethyl)-2-fluoro-1-methoxybenzene|CS-0307715

Structure of 351-52-0

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General Information

  • CAS No. 351-52-0
  • Cat. No. CS-0307715
  • Purity ≥97%
  • MDL No. MFCD04973773
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈ClFO
  • Molecular Weight 174.60
  • Synonym(s) 3-Fluoro-4-methoxybenzyl chloride
  • SMILES COC1=C(C=C(C=C1)CCl)F

Description

4-(Chloromethyl)-2-fluoro-1-methoxybenzene features a reactive chloromethyl group flanked by electron-withdrawing fluorine and electron-donating methoxy substituents, enabling selective functionalization in cross-coupling and nucleophilic substitution reactions. This aryl halide derivative exhibits enhanced stability under standard bench conditions and integrates readily into complex molecular architectures.

Application

4-(Chloromethyl)-2-fluoro-1-methoxybenzene serves as a versatile aryl building block for medicinal chemistry and materials synthesis, enabling direct functionalization via nucleophilic substitution at the chloromethyl group. The ortho-fluoro and para-methoxy substituents provide favorable electronic tuning and enhanced metabolic stability in bioactive scaffolds. Its bench-stable, crystalline form facilitates handling and purification, while compatibility with standard coupling reactions supports efficient assembly of complex heterocycles and API intermediates.

Synthesis

  • Route1
    • In-stock
      3-Fluoro-4-methoxybenzyl alcohol|CS-0194748
      96047-32-4
    • null|null
      124-63-0
    • ~99%
    • In-stock
      4-(Chloromethyl)-2-fluoro-1-methoxybenzene|CS-0307715
      351-52-0

    References

    • Takeda Chemical Industries, Ltd. Patent: EP1223170 A1, 2002 ;
  • Route2

    References

    • DE741780 , ; DRP/DRBP Org.Chem.
  • Route3

    References

    • Cervena, Irena; Holubek, Jiri; Svatek, Emil; Valchar, Martin; Protiva, Miroslav Collection of Czechoslovak Chemical Communications, 1987 , vol. 52, # 10 p. 2564 - 2571

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   9.23
  • LogP   2.5731
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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