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CS-W001157 4
Total: USD 88.00

Azocan-2-one

  • CAS No. 673-66-5

  • Cat. No. CS-W022575
  • Purity≥97%
  • MDL No.MFCD00003271

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

Azocan-2-one|CS-W022575

Structure of 673-66-5

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General Information

  • CAS No. 673-66-5
  • Cat. No. CS-W022575
  • Purity ≥97%
  • MDL No. MFCD00003271
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₃NO
  • Molecular Weight 127.18
  • Synonym(s) ω-Heptanolactam
  • SMILES O=C1NCCCCCC1

Description

Azocan-2-one is a bench-stable, electron-deficient heterocycle featuring a fused azocane ring system with a ketone at the C2 position. This structural motif enables direct incorporation into synthetic sequences requiring strained cyclic scaffolds, particularly in targeted small-molecule library construction and bioorthogonal probe development.

Application

Azocan-2-one serves as a versatile scaffold for the synthesis of nitrogen-containing heterocycles, particularly in the construction of 1,4-diazepane and related bicyclic systems. Its cyclic ketone functionality enables efficient enolate formation and electrophilic functionalization, while the adjacent nitrogen atom provides a handle for selective derivatization. The compound exhibits good bench stability and compatibility with common reaction conditions, facilitating straightforward incorporation into medicinal chemistry campaigns and process development workflows.

Synthesis

  • Route1
    • null|null
      502-42-1
    • ~93%
    • In-stock
      Azocan-2-one|CS-W022575
      673-66-5

    References

    • Eshghi, Hossein; Hassankhani, Asadollah; Mosaddegh, Elaheh Journal of Chemical Research, 2006 , # 4 p. 218 - 219
  • Route2
    • Cycloheptanone oxime|CS-0449588
      2158-31-8
    • ~46%
    • In-stock
      Azocan-2-one|CS-W022575
      673-66-5

    References

    • Ramalingan, Chennan; Park, Yong-Tae Journal of Organic Chemistry, 2007 , vol. 72, # 12 p. 4536 - 4538
  • Route3
    • null|null
      613688-07-6
    • ~60%
    • In-stock
      Azocan-2-one|CS-W022575
      673-66-5

    References

    • David, Olivier; Meester, Wim J. N.; Bieraeugel, Hans; Schoemaker, Hans E.; Hiemstra, Henk; Van Maarseveen, Jan H. Angewandte Chemie - International Edition, 2003 , vol. 42, # 36 p. 4373 - 4375

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   29.1
  • LogP   1.0667
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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