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CS-W001157 4
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1-(tert-Butyl) 4-methyl 1H-indole-1,4-dicarboxylate

  • CAS No. 220499-11-6

  • Cat. No. CS-0112207
  • Purity≥98%
  • MDL No.MFCD09834880

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

1-(tert-Butyl) 4-methyl 1H-indole-1,4-dicarboxylate|CS-0112207

Structure of 220499-11-6

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General Information

  • CAS No. 220499-11-6
  • Cat. No. CS-0112207
  • Purity ≥98%
  • MDL No. MFCD09834880
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₇NO₄
  • Molecular Weight 275.30
  • Synonym(s) 1-tert-Butyl 4-methyl 1H-indole-1,4-dicarboxylate
  • SMILES O=C(N1C=CC2=C1C=CC=C2C(OC)=O)OC(C)(C)C

Synthesis

  • Route1

    References

    • NOVARTIS AG; BERST, Frederic; FURET, Pascal; MARZINZIK, Andreas; STAUFFER, Frederic Patent: WO2011/157793 A1, 2011 ; Location in patent: Page/Page column 46-47 ; WO 2011/157793 A1
  • Route2

    References

    • Fauq, Abdul H.; Hong, Feng; Cusack, Bernadette; Tyler, Beth M.; Ping-Pang, Yuan; Richelson, Elliott Tetrahedron Asymmetry, 1998 , vol. 9, # 23 p. 4127 - 4134
  • Route3

    References

    • Fauq, Abdul H.; Hong, Feng; Cusack, Bernadette; Tyler, Beth M.; Ping-Pang, Yuan; Richelson, Elliott Tetrahedron Asymmetry, 1998 , vol. 9, # 23 p. 4127 - 4134

Safety Information

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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   57.53
  • LogP   3.2111
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   1

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