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CS-W001157 4
Total: USD 88.00

1-Methylazepan-2-one

  • CAS No. 2556-73-2

  • Cat. No. CS-0151090
  • Molecule weight127.18
  • Purity≥98%
  • MDL No.MFCD00003263

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

1-Methylazepan-2-one|CS-0151090

Structure of 2556-73-2

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General Information

  • CAS No. 2556-73-2
  • Cat. No. CS-0151090
  • Purity ≥98%
  • MDL No. MFCD00003263
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₃NO
  • Molecular Weight 127.18
  • Synonym(s) N-Methylcaprolactam
  • SMILES CN1CCCCCC1=O

Description

m-PEG3-ONHBoc contains a Boc protected aminooxy group. The Boc can be removed under acidic conditions to be further reacted. The hydrophilic PEG chain increases the water solubility of the compound in aqueous media.

Application

1-Methylazepan-2-one serves as a valuable synthetic intermediate in medicinal chemistry, enabling the construction of nitrogen-containing heterocycles through standard reductive amination and nucleophilic substitution protocols. Its cyclohexanone-like reactivity, combined with bench-stable crystalline form and tolerance to common functional groups, facilitates efficient incorporation into complex molecular architectures. The molecule functions as a key building block for bioactive scaffolds, particularly in CNS-targeted compound libraries.

Synthesis

  • Route1

    References

    • WO2005/51907 A1, ; Page/Page column 11 ;
  • Route2
    • In-stock
      Azepan-2-one|CS-W011258
      105-60-2
    • null|null
      80-43-3
    • ~88%
    • In-stock
      1-Methylazepan-2-one|CS-0151090
      2556-73-2

    References

    • Xia, Qinqin; Liu, Xiaolong; Zhang, Yuejiao; Chen, Chao; Chen, Wanzhi Organic Letters, 2013 , vol. 15, # 13 p. 3326 - 3329
  • Route3
    • null|null
      74530-78-2
    • ~79%
    • In-stock
      1-Methylazepan-2-one|CS-0151090
      2556-73-2

    References

    • Bayer Aktiengesellschaft Patent: US4873326 A1, 1989 ;

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+H312+H332-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   20.31
  • LogP   1.0188
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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