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CS-W001157 4
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1-(Tert-butyl) 6-methyl 3-iodo-1H-indole-1,6-dicarboxylate

  • CAS No. 850374-94-6

  • Cat. No. CS-0357981
  • Molecule weight401.20
  • Purity≥98%
  • MDL No.None

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

1-(Tert-butyl) 6-methyl 3-iodo-1H-indole-1,6-dicarboxylate|CS-0357981

Structure of 850374-94-6

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General Information

  • CAS No. 850374-94-6
  • Cat. No. CS-0357981
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₆INO₄
  • Molecular Weight 401.20
  • Synonym(s) 1-tert-butyl 6-methyl 3-iodo-1H-indole-1,6-dicarboxylate
  • SMILES O=C(N1C=C(I)C2=C1C=C(C(OC)=O)C=C2)OC(C)(C)C

Synthesis

  • Route1

    References

    • Mothes, Celine; Lavielle, Solange; Karoyan, Philippe Journal of Organic Chemistry, 2008 , vol. 73, # 17 p. 6706 - 6710
  • Route2

    References

    • Organic Letters, , vol. 15, # 16 p. 4130 - 4133
  • Route3

    References

    • Organic Letters, , vol. 15, # 16 p. 4130 - 4133

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

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Computational Chemistry Data

  • TPSA   57.53
  • LogP   3.8157
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   1

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