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CS-W001157 4
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4-Benzylmorpholin-3-one

  • CAS No. 61636-32-6

  • Cat. No. CS-0156277
  • Purity≥97%
  • MDL No.MFCD10700061

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

4-Benzylmorpholin-3-one|CS-0156277

Structure of 61636-32-6

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General Information

  • CAS No. 61636-32-6
  • Cat. No. CS-0156277
  • Purity ≥97%
  • MDL No. MFCD10700061
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃NO₂
  • Molecular Weight 191.23
  • Synonym(s) 4-BENZYL-MORPHOLIN-3-ONE
  • SMILES C1=CC=C(C=C1)CN2CCOCC2=O

Description

4-Benzylmorpholin-3-one is a bench-stable, moisture-tolerant heterocyclic scaffold featuring a morpholinone core with a benzyl substituent at the 4-position. This structure integrates a polar carbonyl group with an aromatic handle, enhancing solubility and enabling strategic functionalization in medicinal chemistry campaigns.

Application

4-Benzylmorpholin-3-one serves as a versatile scaffold in medicinal chemistry, enabling the construction of bioactive heterocycles through well-established functionalization at the C4 position. Its morpholinone core exhibits favorable stability and solubility, while the benzyl group provides a handle for further derivatization. The compound functions effectively in standard coupling and reduction protocols, facilitating access to diverse analogs in lead optimization campaigns.

Synthesis

  • Route1
    • N-benzyl-2-chloro-N-(2-hydroxyethyl)acetamide|CS-0335773
      100129-49-5
    • ~84%
    • In-stock
      4-Benzylmorpholin-3-one|CS-0156277
      61636-32-6

    References

    • ELI LILLY AND COMPANY Patent: WO2005/20975 A2, 2005 ; Location in patent: Page/Page column 165 ; WO 2005/020975 A2
  • Route2
    • null|null
      349097-85-4
    • ~79%
    • In-stock
      4-Benzylmorpholin-3-one|CS-0156277
      61636-32-6

    References

    • Fish, Paul Vincent; MacKenny, Malcolm Christian; Stobie, Alan; Wakenhut, Florian; Whitlock, Gavin Alistair Patent: US2005/250775 A1, 2005 ; Location in patent: Page/Page column 20-21 ; US 20050250775 A1
  • Route3

    References

    • Horwell, David C.; Morrell, Andrew I.; Roberts, Edward Bioorganic and Medicinal Chemistry Letters, 1996 , vol. 6, # 2 p. 165 - 166

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   29.54
  • LogP   1.0454
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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