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CS-W001157 4
Total: USD 88.00

tert-Butyl 4-(hydroxymethyl)-1H-indole-1-carboxylate

  • CAS No. 220499-12-7

  • Cat. No. CS-W001504
  • Purity≥97%
  • MDL No.MFCD09834881

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

tert-Butyl 4-(hydroxymethyl)-1H-indole-1-carboxylate|CS-W001504

Structure of 220499-12-7

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General Information

  • CAS No. 220499-12-7
  • Cat. No. CS-W001504
  • Purity ≥97%
  • MDL No. MFCD09834881
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₇NO₃
  • Molecular Weight 247.29
  • Synonym(s) tert-butyl 4-(hydroxymethyl)indole-1-carboxylate
  • SMILES CC(C)(OC(N1C=CC2=C(CO)C=CC=C21)=O)C

Synthesis

  • Route1
    • 1-(tert-Butyl) 4-methyl 1H-indole-1,4-dicarboxylate|CS-0112207
      220499-11-6
    • ~95%
    • tert-Butyl 4-(hydroxymethyl)-1H-indole-1-carboxylate|CS-W001504
      220499-12-7

    References

    • NOVARTIS AG; BERST, Frederic; FURET, Pascal; MARZINZIK, Andreas; STAUFFER, Frederic Patent: WO2011/157793 A1, 2011 ; Location in patent: Page/Page column 46 ; WO 2011/157793 A1
  • Route2
    • 1-(tert-Butyl) 4-methyl indoline-1,4-dicarboxylate|CS-0776788
      1313237-54-5
    • ~96%
    • tert-Butyl 4-(hydroxymethyl)-1H-indole-1-carboxylate|CS-W001504
      220499-12-7

    References

    • NOVARTIS AG; BERST, Frederic; FURET, Pascal; MARZINZIK, Andreas Patent: WO2011/157787 A1, 2011 ; Location in patent: Page/Page column 60 ; WO 2011/157787 A1
  • Route3

    References

    • NOVARTIS AG; BERST, Frederic; FURET, Pascal; MARZINZIK, Andreas; STAUFFER, Frederic Patent: WO2011/157793 A1, 2011 ; WO 2011/157793 A1

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

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Computational Chemistry Data

  • TPSA   51.46
  • LogP   2.9168
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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