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CS-W001157 4
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(1S)-4,5-Dimethoxy-1-[(methylamino)methyl]benzocyclobutane hydrochloride

  • CAS No. 866783-13-3

  • Cat. No. CS-0151042
  • Purity≥98%
  • MDL No.MFCD13194843

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

(1S)-4,5-Dimethoxy-1-[(methylamino)methyl]benzocyclobutane hydrochloride|CS-0151042

Structure of 866783-13-3

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General Information

  • CAS No. 866783-13-3
  • Cat. No. CS-0151042
  • Purity ≥98%
  • MDL No. MFCD13194843
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₈ClNO₂
  • Molecular Weight 243.73
  • Synonym(s) None
  • SMILES COC1=C(OC)C=C2C([C@@H](CNC)C2)=C1.Cl

Synthesis

  • Route1
    • (S)-1-(3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)-N-methylmethanamine|CS-0055029
      866783-12-2
    • ~90%
    • In-stock
      (1S)-4,5-Dimethoxy-1-[(methylamino)methyl]benzocyclobutane hydrochloride|CS-0151042
      866783-13-3

    References

    • Lerestif, Jean-Michel; Blanco, Isaac Gonzalez; Lecouve, Jean-Pierre; Brigot, Daniel Patent: US2005/261376 A1, 2005 ; Location in patent: Page/Page column 3 ;
  • Route2
    • null|null
      1220993-43-0
    • ~88%
    • In-stock
      (1S)-4,5-Dimethoxy-1-[(methylamino)methyl]benzocyclobutane hydrochloride|CS-0151042
      866783-13-3

    References

    • RICHTER GEDEON NYRT.; UJVARI, Viktor; BODI, Jozsef; FARAGO, Janos; SZKE, Katalin; FAIGL, Ferenc; NEMET, Zoltan; TEMESVARI, Krisztina; KISS, Robert; MATRAVOeLGYI, Bela; KASSAI, Ferencne; KISS-BARTOS, Dorottya Patent: WO2011/138625 A1, 2011 ; Location in patent: Page/Page column 42 ;
  • Route3

    References

    • WO2011/138625 A1, ;

Safety Information

Download SDS
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

Quality Control

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Computational Chemistry Data

  • TPSA   30.49
  • LogP   1.9847
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   4

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