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CS-W001157 4
Total: USD 88.00

7-Chloro-1-tosyl-1,2,3,4-tetrahydro-5H-benzo[b]azepin-5-one

  • CAS No. 193686-76-9

  • Cat. No. CS-0149405
  • Molecule weight349.83
  • Purity≥96%
  • MDL No.MFCD09701321

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

7-Chloro-1-tosyl-1,2,3,4-tetrahydro-5H-benzo[b]azepin-5-one|CS-0149405

Structure of 193686-76-9

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General Information

  • CAS No. 193686-76-9
  • Cat. No. CS-0149405
  • Purity ≥96%
  • MDL No. MFCD09701321
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₁₆ClNO₃S
  • Molecular Weight 349.83
  • Synonym(s) 7-Chloro-1-(toluene-4-sulfonyl)-1,2,3,4-tetrahydro-benzo[b]azepin-5-one
  • SMILES O=C1CCCN(S(=O)(C2=CC=C(C)C=C2)=O)C3=CC=C(Cl)C=C13

Synthesis

  • Route1
    • Methyl 5-chloro-2-((N-(4-ethoxy-4-oxobutyl)-4-methylphenyl)sulfonamido)benzoate|CS-0822682
      247237-43-0
    • ~60%
    • 7-Chloro-1-tosyl-1,2,3,4-tetrahydro-5H-benzo[b]azepin-5-one|CS-0149405
      193686-76-9

    References

    • Kondo, Kazumi; Ogawa, Hidenori; Yamashita, Hiroshi; Miyamoto, Hisashi; Tanaka, Michinori; Nakaya, Kenji; Kitano, Kazuyoshi; Yamamura, Yoshitaka; Nakamura, Shigeki; Onogawa, Toshiyuki; Mori, Toyoki; Tominaga, Michiaki Bioorganic and Medicinal Chemistry, 1999 , vol. 7, # 8 p. 1743 - 1754
  • Route2
    • null|null
      313673-93-7
    • ~57%
    • 7-Chloro-1-tosyl-1,2,3,4-tetrahydro-5H-benzo[b]azepin-5-one|CS-0149405
      193686-76-9

    References

    • Ghosh, Debalina; Thander, Latibuddin; Ghosh, Sanjay K.; Chattopadhyay, Shital K. Synlett, 2008 , # 19 p. 3011 - 3015
  • Route3

    References

    • Kondo, Kazumi; Ogawa, Hidenori; Yamashita, Hiroshi; Miyamoto, Hisashi; Tanaka, Michinori; Nakaya, Kenji; Kitano, Kazuyoshi; Yamamura, Yoshitaka; Nakamura, Shigeki; Onogawa, Toshiyuki; Mori, Toyoki; Tominaga, Michiaki Bioorganic and Medicinal Chemistry, 1999 , vol. 7, # 8 p. 1743 - 1754

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   54.45
  • LogP   3.82022
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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