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CS-W001157 4
Total: USD 88.00

4-Fluoro-1,2-dimethylbenzene

  • CAS No. 452-64-2

  • Cat. No. CS-W013525
  • Purity≥98%
  • MDL No.MFCD00039217

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

4-Fluoro-1,2-dimethylbenzene|CS-W013525

Structure of 452-64-2

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General Information

  • CAS No. 452-64-2
  • Cat. No. CS-W013525
  • Purity ≥98%
  • MDL No. MFCD00039217
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉F
  • Molecular Weight None
  • Synonym(s) 4-Fluoro-o-xylene
  • SMILES CC1=CC(F)=CC=C1C

Description

4-Fluoro-1,2-dimethylbenzene features a fluorine atom positioned para to a methyl group on a 1,2-dimethyl-substituted benzene ring. This electronic and steric configuration enhances its utility in synthetic organic chemistry, particularly for constructing electron-deficient aromatic systems under mild reaction conditions.

Application

4-Fluoro-1,2-dimethylbenzene serves as a valuable building block in medicinal chemistry and agrochemical synthesis, offering a trifunctionalized aromatic scaffold with orthogonal reactivity. The fluorine substituent enables directed metallation and enhances metabolic stability, while the adjacent methyl groups provide steric guidance and serve as handles for further functionalization. This compound exhibits excellent bench stability and facilitates efficient late-stage derivatization via palladium-catalyzed cross-coupling or electrophilic substitution, making it a practical choice for modular library construction.

Synthesis

  • Route1
    • null|null
      95-64-7
    • ~57%
    • In-stock
      4-Fluoro-1,2-dimethylbenzene|CS-W013525
      452-64-2

    References

    • Aitken, R. Alan; Hodgson, Philip K.G.; Morrison, John J.; Oyewale, Adebayo O. Journal of the Chemical Society. Perkin Transactions 1, 2002 , # 3 p. 402 - 415
  • Route2
    • 1,2-Bis(bromomethyl)-4-fluorobenzene|CS-0667450
      55831-04-4
    • ~7%
    • In-stock
      4-Fluoro-1,2-dimethylbenzene|CS-W013525
      452-64-2
    • null|null
      51736-78-8

    References

    • Aitken, R. Alan; Hodgson, Philip K.G.; Morrison, John J.; Oyewale, Adebayo O. Journal of the Chemical Society. Perkin Transactions 1, 2002 , # 3 p. 402 - 415
  • Route3
    • null|null
      95-47-6
    • ~0%
    • In-stock
      4-Fluoro-1,2-dimethylbenzene|CS-W013525
      452-64-2
    • null|null
      62037-88-1
    • null|null
      443-82-3

    References

    • Stavber, Stojan; Zupan, Marko Journal of Organic Chemistry, 1991 , vol. 56, # 26 p. 7347 - 7350

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Warning
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H315-H319-H335
Precautionary Statements : P210-P233-P240-P241-P242-P243-P260-P264-P271-P280-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P370+P378-P403+P233-P403+P235-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   2.44254
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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