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CS-W001157 4
Total: USD 88.00

3-(4-Fluorophenyl)pentanedioic acid

  • CAS No. 3449-63-6

  • Cat. No. CS-0157524
  • Molecule weight226.20
  • Purity≥95%
  • MDL No.MFCD19352347

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

3-(4-Fluorophenyl)pentanedioic acid|CS-0157524

Structure of 3449-63-6

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General Information

  • CAS No. 3449-63-6
  • Cat. No. CS-0157524
  • Purity ≥95%
  • MDL No. MFCD19352347
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁FO₄
  • Molecular Weight 226.20
  • Synonym(s) 3-(4-fluorophenyl)pentan-1,5-dioic acid
  • SMILES C1=C(C=CC(=C1)F)C(CC(=O)O)CC(=O)O

Synthesis

  • Route1
    • null|null
      349446-90-8
    • ~91%
    • 3-(4-Fluorophenyl)pentanedioic acid|CS-0157524
      3449-63-6

    References

    • Takeda Chemical Industries, Ltd. Patent: EP1411052 A1, 2004 ; Location in patent: Page 53-54 ;
  • Route2

    References

    • UNIVERSITAET DES SAARLANDES Patent: US2012/46307 A1, 2012 ; Location in patent: Page/Page column 34 ;
  • Route3
    • Dimethyl 3-(4-fluorophenyl)pentanedioate|CS-0187375
      216690-15-2
    • ~82%
    • 3-(4-Fluorophenyl)pentanedioic acid|CS-0157524
      3449-63-6

    References

    • Ito, Masato; Sakaguchi, Ayaka; Kobayashi, Chika; Ikariya, Takao Journal of the American Chemical Society, 2007 , vol. 129, # 2 p. 290 - 291

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   74.6
  • LogP   1.8587
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   5

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