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CS-W001157 4
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tert-Butyl 3-(2-cyanopropan-2-yl)-1H-indole-1-carboxylate

  • CAS No. 380626-46-0

  • Cat. No. CS-B0467
  • Molecule weight284.35
  • Purity≥98%
  • MDL No.MFCD02323443

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

tert-Butyl 3-(2-cyanopropan-2-yl)-1H-indole-1-carboxylate|CS-B0467

Structure of 380626-46-0

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General Information

  • CAS No. 380626-46-0
  • Cat. No. CS-B0467
  • Purity ≥98%
  • MDL No. MFCD02323443
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₂₀N₂O₂
  • Molecular Weight 284.35
  • Synonym(s) N-Boc-a,a-DiMethyl-1H-indole-3-acetonitrile
  • SMILES N#CC(C)(C)C1=CN(C2=C1C=CC=C2)C(OC(C)(C)C)=O

Synthesis

  • Route1
    • null|null
      74-88-4
    • ~72%
    • tert-Butyl 3-(2-cyanopropan-2-yl)-1H-indole-1-carboxylate|CS-B0467
      380626-46-0

    References

    • WO2007/70796 A1, ; Page/Page column 110; 111; 117 ; WO 2007/070796 A1
  • Route2
    • In-stock
      tert-Butyl 3-(cyanomethyl)-1H-indole-1-carboxylate|CS-M0670
      218772-62-4
    • null|null
      74-88-4
    • ~31%
    • tert-Butyl 3-(2-cyanopropan-2-yl)-1H-indole-1-carboxylate|CS-B0467
      380626-46-0
    • null|null
      629662-14-2

    References

    • WO2004/19935 A1, ; Page/Page column 66 ; WO 2004/019935 A1
  • Route3

    References

    • EP1637521 A1, ; Page/Page column 58 ;

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+P364

Quality Control

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Computational Chemistry Data

  • TPSA   55.02
  • LogP   4.22568
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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