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(S)-(3,4-dimethoxybicyclo[4.2.0]Octa-1,3,5-trien-7-yl)methanamine

  • CAS No. 869856-07-5

  • Cat. No. CS-0456558
  • Purity≥98%
  • MDL No.None

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

(S)-(3,4-dimethoxybicyclo[4.2.0]Octa-1,3,5-trien-7-yl)methanamine|CS-0456558

Structure of 869856-07-5

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General Information

  • CAS No. 869856-07-5
  • Cat. No. CS-0456558
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₅NO₂
  • Molecular Weight 193.24
  • Synonym(s) (7S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-methanamine
  • SMILES COC1=C(C=C2C(=C1)C[C@@H]2CN)OC

Synthesis

  • Route1
    • null|null
      1214788-42-7
    • ~90%
    • (S)-(3,4-dimethoxybicyclo[4.2.0]Octa-1,3,5-trien-7-yl)methanamine|CS-0456558
      869856-07-5

    References

    • Lerestif, Jean-Michel; Lecouve, Jean-Pierre; Dron, Daniel; Gojon, Eric; Phan, Maryse Patent: US2010/56778 A1, 2010 ; Location in patent: Page/Page column 3 ;
  • Route2
    • L-Glutamic acid, N-acetyl-, compd. with (7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-methanamine 1:1|CS-0535121
      869856-08-6
    • ~10%
    • (S)-(3,4-dimethoxybicyclo[4.2.0]Octa-1,3,5-trien-7-yl)methanamine|CS-0456558
      869856-07-5

    References

    • Lerestif, Jean-Michel; Blanco, Isaac Gonzalez; Lecouve, Jean-Pierre; Brigot, Daniel Patent: US2005/261376 A1, 2005 ; Location in patent: Page/Page column 3 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3259
Class : 8
Packing Group : Ⅲ
Hazard Statements : H315-H318-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   44.48
  • LogP   1.3022
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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