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CS-W001157 4
Total: USD 88.00

1-Benzylazepan-4-one

  • CAS No. 1208-75-9

  • Cat. No. CS-0002391
  • Purity≥98%
  • MDL No.MFCD04038554

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

1-Benzylazepan-4-one|CS-0002391

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General Information

  • CAS No. 1208-75-9
  • Cat. No. CS-0002391
  • Purity ≥98%
  • MDL No. MFCD04038554
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₇NO
  • Molecular Weight 203.28
  • Synonym(s) 4H-azepin-4-one, hexahydro-1-(phenylmethyl)-
  • SMILES O=C1CCN(CCC1)CC2=CC=CC=C2

Synthesis

  • Route1
    • 4-Azepanone hydrochloride Azelastine  Impurity|CS-0228911
      50492-22-3
    • null|null
      100-39-0
    • ~92%
    • In-stock
      1-Benzylazepan-4-one|CS-0002391
      1208-75-9

    References

    • SEPRACOR INC.; CHYTIL, Milan; ENGEL, Sharon, R.; FANG, Qun, Kevin Patent: WO2010/144571 A1, 2010 ; Location in patent: Page/Page column 133-134 ; WO 2010/144571 A1
  • Route2
    • null|null
      1164-14-3
    • ~29%
    • In-stock
      1-Benzylazepan-4-one|CS-0002391
      1208-75-9

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH Patent: US2011/195954 A1, 2011 ; Location in patent: Page/Page column 106 ;
  • Route3
    • Azepan-4-one|CS-0440296
      105416-56-6
    • null|null
      100-52-7
    • ~76%
    • In-stock
      1-Benzylazepan-4-one|CS-0002391
      1208-75-9

    References

    • Gruenenthal GmbH Patent: US2010/249095 A1, 2010 ; Location in patent: Page/Page column 131 ; US 20100249095 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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   20.31
  • LogP   2.2416
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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