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(1-(tert-Butoxycarbonyl)-6-methoxy-1H-indol-2-yl)boronic acid

  • CAS No. 850568-65-9

  • Cat. No. CS-0002249
  • Molecule weight291.11
  • Purity≥98%
  • MDL No.MFCD06659830

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

(1-(tert-Butoxycarbonyl)-6-methoxy-1H-indol-2-yl)boronic acid|CS-0002249

Structure of 850568-65-9

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General Information

  • CAS No. 850568-65-9
  • Cat. No. CS-0002249
  • Purity ≥98%
  • MDL No. MFCD06659830
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₈BNO₅
  • Molecular Weight 291.11
  • Synonym(s) N-BOC-6-METHOXYINDOLE-2-BORONIC ACID
  • SMILES O=C(OC(C)(C)C)N1C(B(O)O)=CC(C=C2)=C1C=C2OC

Synthesis

  • Route1
    • tert-Butyl 6-methoxy-1H-indole-1-carboxylate|CS-0722938
      138344-18-0
    • ~92%
    • In-stock
      (1-(tert-Butoxycarbonyl)-6-methoxy-1H-indol-2-yl)boronic acid|CS-0002249
      850568-65-9

    References

    • PTC THERAPEUTICS, INC.; HWANG, Peter Seongwoo; TAKASUGI, James; REN, Hongyu; WILDE, Richard Gerald; TURPOFF, Anthony; AREFOLOV, Alexander; KARP, Gary Mitchell; CHEN, Guangming; CAMPBELL, Jeffrey Allen Patent: WO2006/19831 A1, 2006 ; Location in patent: Page/Page column 450 ;

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P501

Quality Control

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Computational Chemistry Data

  • TPSA   80.92
  • LogP   1.1129
  • H_Acceptors   6
  • H_Donors   2
  • Rotatable_Bonds   2

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