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CS-W001157 4
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1-Fluoro-4-iodo-5-methoxy-2-(propan-2-yl)benzene

  • CAS No. 875446-57-4

  • Cat. No. CS-0057507
  • Molecule weight294.10
  • Purity≥98%
  • MDL No.MFCD22574035

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

1-Fluoro-4-iodo-5-methoxy-2-(propan-2-yl)benzene|CS-0057507

Structure of 875446-57-4

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General Information

  • CAS No. 875446-57-4
  • Cat. No. CS-0057507
  • Purity ≥98%
  • MDL No. MFCD22574035
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂FIO
  • Molecular Weight 294.10
  • Synonym(s) 1-Fluoro-4-iodo-2-isopropyl-5-methoxybenzene
  • SMILES CC(C)C1=CC(=C(C=C1F)OC)I

Synthesis

  • Route1
    • Benzene, 2-fluoro-4-methoxy-1-(1-methylethenyl)-|CS-0006989
      875446-55-2
    • ~%
    • 1-Fluoro-4-iodo-5-methoxy-2-(propan-2-yl)benzene|CS-0057507
      875446-57-4

    References

    • MERCK and CO., INC. Patent: WO2007/41494 A2, 2007 ; Location in patent: Page/Page column 33 ;
  • Route2

    References

    • Smith, Cameron J.; Ali, Amjad; Hammond, Milton L.; Li, Hong; Lu, Zhijian; Napolitano, Joann; Taylor, Gayle E.; Thompson, Christopher F.; Anderson, Matt S.; Chen, Ying; Eveland, Suzanne S.; Guo, Qiu; Hyland, Sheryl A.; Milot, Denise P.; Sparrow, Carl P.; Wright, Samuel D.; Cumiskey, Anne-Marie; Latham, Melanie; Peterson, Laurence B.; Rosa, Ray; Pivnichny, James V.; Tong, Xinchun; Xu, Suoyu S.; Sinclair, Peter J. Journal of Medicinal Chemistry, 2011 , vol. 54, # 13 p. 4880 - 4895
  • Route3
    • 2-(2-Fluoro-4-methoxyphenyl)propan-2-ol|CS-1190377
      96826-25-4
    • ~%
    • 1-Fluoro-4-iodo-5-methoxy-2-(propan-2-yl)benzene|CS-0057507
      875446-57-4

    References

    • Smith, Cameron J.; Ali, Amjad; Hammond, Milton L.; Li, Hong; Lu, Zhijian; Napolitano, Joann; Taylor, Gayle E.; Thompson, Christopher F.; Anderson, Matt S.; Chen, Ying; Eveland, Suzanne S.; Guo, Qiu; Hyland, Sheryl A.; Milot, Denise P.; Sparrow, Carl P.; Wright, Samuel D.; Cumiskey, Anne-Marie; Latham, Melanie; Peterson, Laurence B.; Rosa, Ray; Pivnichny, James V.; Tong, Xinchun; Xu, Suoyu S.; Sinclair, Peter J. Journal of Medicinal Chemistry, 2011 , vol. 54, # 13 p. 4880 - 4895

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   9.23
  • LogP   3.5623
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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