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CS-W001157 4
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tert-Butyl 1-(tert-butoxy)isoquinoline-2(1H)-carboxylate

  • CAS No. 404586-94-3

  • Cat. No. CS-0135481
  • Purity≥97%
  • MDL No.MFCD08276797

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

tert-Butyl 1-(tert-butoxy)isoquinoline-2(1H)-carboxylate|CS-0135481

Structure of 404586-94-3

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General Information

  • CAS No. 404586-94-3
  • Cat. No. CS-0135481
  • Purity ≥97%
  • MDL No. MFCD08276797
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₈H₂₅NO₃
  • Molecular Weight 303.40
  • Synonym(s) Boc-1-tert-butoxy-1,2-dihydroisoquinoline
  • SMILES CC(C)(OC1N(C=CC2=C1C=CC=C2)C(OC(C)(C)C)=O)C

Synthesis

  • Route1

    References

    • Ouchi, Hidekazu; Saito, Yukako; Yamamoto, Yutaka; Takahata, Hiroki Organic Letters, 2002 , vol. 4, # 4 p. 585 - 587

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   38.77
  • LogP   4.7217
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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