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CS-W001157 4
Total: USD 88.00

tert-Butyl 5-(hydroxymethyl)isoindoline-2-carboxylate

  • CAS No. 253801-14-8

  • Cat. No. CS-0210520
  • Purity95+%
  • MDL No.MFCD16090011

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

tert-Butyl 5-(hydroxymethyl)isoindoline-2-carboxylate|CS-0210520

Structure of 253801-14-8

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General Information

  • CAS No. 253801-14-8
  • Cat. No. CS-0210520
  • Purity 95+%
  • MDL No. MFCD16090011
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₉NO₃
  • Molecular Weight 249.31
  • Synonym(s) tert-Butyl5-(hydroxymethyl)-2,3-dihydro-1H-isoindole-2-carboxylate
  • SMILES CC(C)(C)OC(=O)N1CC2=C(C=C(C=C2)CO)C1

Synthesis

  • Route1
    • null|null
      107-19-7
    • In-stock
      tert-butyl di(prop-2-yn-1-yl)carbamate|CS-0008727
      262418-92-8
    • ~84%
    • In-stock
      tert-Butyl 5-(hydroxymethyl)isoindoline-2-carboxylate|CS-0210520
      253801-14-8

    References

    • Auvinet, Anne-Laure; Ez-Zoubir, Mehdi; Bompard, Savinien; Vitale, Maxime R.; Brown, Jack A.; Michelet, Veronique; Ratovelomanana-Vidal, Virginie ChemCatChem, 2013 , vol. 5, # 8 p. 2389 - 2394
  • Route2
    • In-stock
      Di-tert-butyl dicarbonate|CS-0017817
      24424-99-5
    • Isoindolin-5-ylmethanol|CS-0270683
      127168-98-3
    • ~91%
    • In-stock
      tert-Butyl 5-(hydroxymethyl)isoindoline-2-carboxylate|CS-0210520
      253801-14-8

    References

    • Le Bourdonnec, Bertrand; Ajello, Christopher W.; Seida, Pamela R.; Susnow, Roberta G.; Cassel, Joel A.; Belanger, Serge; Stabley, Gabriel J.; DeHaven, Robert N.; DeHaven-Hudkins, Diane L.; Dolle, Roland E. Bioorganic and Medicinal Chemistry Letters, 2005 , vol. 15, # 10 p. 2647 - 2652
  • Route3
    • (2-Benzylisoindolin-5-yl)methanol|CS-0357135
      127169-16-8
    • ~%
    • In-stock
      tert-Butyl 5-(hydroxymethyl)isoindoline-2-carboxylate|CS-0210520
      253801-14-8

    References

    • Le Bourdonnec, Bertrand; Ajello, Christopher W.; Seida, Pamela R.; Susnow, Roberta G.; Cassel, Joel A.; Belanger, Serge; Stabley, Gabriel J.; DeHaven, Robert N.; DeHaven-Hudkins, Diane L.; Dolle, Roland E. Bioorganic and Medicinal Chemistry Letters, 2005 , vol. 15, # 10 p. 2647 - 2652

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 : P260-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   49.77
  • LogP   2.4296
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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