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CS-W001157 4
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2H-Isoindole-2-carboxylic acid, 5-fluoro-1,3-dihydro-, 1,1-dimethylethyl ester

  • CAS No. 871013-94-4

  • Cat. No. CS-0356355
  • Purity≥97%
  • MDL No.MFCD11878365

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

2H-Isoindole-2-carboxylic acid, 5-fluoro-1,3-dihydro-, 1,1-dimethylethyl ester|CS-0356355

Structure of 871013-94-4

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General Information

  • CAS No. 871013-94-4
  • Cat. No. CS-0356355
  • Purity ≥97%
  • MDL No. MFCD11878365
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆FNO₂
  • Molecular Weight 237.27
  • Synonym(s) Tert-butyl 5-fluoroisoindoline-2-carboxylate
  • SMILES O=C(N1CC2=C(C=C(F)C=C2)C1)OC(C)(C)C

Synthesis

  • Route1
    • 5-Fluoroisoindoline|CS-0044192
      57584-71-1
    • In-stock
      Di-tert-butyl dicarbonate|CS-0017817
      24424-99-5
    • ~%
    • In-stock
      2H-Isoindole-2-carboxylic acid, 5-fluoro-1,3-dihydro-, 1,1-dimethylethyl ester|CS-0356355
      871013-94-4

    References

    • Van Goethem, Sebastiaan; Van der Veken, Pieter; Dubois, Veronique; Soroka, Anna; Lambeir, Anne-Marie; Chen, Xin; Haemers, Achiel; Scharpe, Simon; De Meester, Ingrid; Augustyns, Koen Bioorganic and Medicinal Chemistry Letters, 2008 , vol. 18, # 14 p. 4159 - 4162

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362

Quality Control

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Computational Chemistry Data

  • TPSA   29.54
  • LogP   3.0764
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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