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CS-W001157 4
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(3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)methanamine

  • CAS No. 102908-68-9

  • Cat. No. CS-0006471
  • Molecule weight164.20
  • Purity≥98%
  • MDL No.MFCD09800578

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

(3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)methanamine|CS-0006471

Structure of 102908-68-9

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General Information

  • CAS No. 102908-68-9
  • Cat. No. CS-0006471
  • Purity ≥98%
  • MDL No. MFCD09800578
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂N₂O
  • Molecular Weight 164.20
  • Synonym(s) 3,4-Dihydro-2H-1,4-benzoxazine-2-methanamine
  • SMILES NCC1CNC2=CC=CC=C2O1

Synthesis

  • Route1
    • 3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carbonitrile|CS-0006470
      86267-86-9
    • ~64%
    • (3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)methanamine|CS-0006471
      102908-68-9

    References

    • ELI LILLY AND COMPANY; AGEJAS-CHICHARRO, Francisco Javier; DIAZ BUEZO, Nuria; GRUBER, Joseph Michael; STACK, Douglas Richard Patent: WO2014/74365 A1, 2014 ; Location in patent: Page/Page column 15 ;
  • Route2
    • 3,4-Dihydro-2h-1,4-benzoxazine-2-carboxamide|CS-0246735
      13582-93-9
    • ~67%
    • (3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)methanamine|CS-0006471
      102908-68-9

    References

    • Bourlot, Anne-Sophie; Sanchez, Isabel; Dureng, Georges; Guillaumet, Gerald; Massingham, Roy; Monteil, Andre; Winslow, Eileen; Pujol, M. Dolors; Merour, Jean-Yves Journal of Medicinal Chemistry, 1998 , vol. 41, # 17 p. 3142 - 3158
  • Route3

    References

    • Bourlot, Anne-Sophie; Sanchez, Isabel; Dureng, Georges; Guillaumet, Gerald; Massingham, Roy; Monteil, Andre; Winslow, Eileen; Pujol, M. Dolors; Merour, Jean-Yves Journal of Medicinal Chemistry, 1998 , vol. 41, # 17 p. 3142 - 3158

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 2735
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H314
Precautionary Statements : P260-P264-P270-P280-P301+P330+P331-P304+P340-P330-P363-P405-P501

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Computational Chemistry Data

  • TPSA   47.28
  • LogP   0.8182
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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