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CS-W001157 4
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2-Phenoxyethylamine

  • CAS No. 1758-46-9

  • Cat. No. CS-W002257
  • Molecule weight137.18
  • Purity≥97%
  • MDL No.MFCD00052975

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

2-Phenoxyethylamine|CS-W002257

Structure of 1758-46-9

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General Information

  • CAS No. 1758-46-9
  • Cat. No. CS-W002257
  • Purity ≥97%
  • MDL No. MFCD00052975
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₁NO
  • Molecular Weight 137.18
  • Synonym(s) 2-Phenoxyethanamine; 2-Phenoxyethylamine
  • SMILES NCCOc1ccccc1

Description

2-Phenoxyethylamine features a phenoxyl ether linkage fused to an ethylamine side chain, delivering enhanced metabolic stability and improved solubility in polar solvents. This structural motif enables direct incorporation into bioactive molecules for drug discovery, particularly in CNS-targeted compounds where membrane permeability and target engagement are critical.

Application

2-Phenoxyethylamine serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles and functionalized side chains. Its amine functionality facilitates straightforward derivatization, while the phenoxy group imparts metabolic stability and modulates lipophilicity. The compound exhibits excellent bench stability and compatibility with standard purification techniques, making it well-suited for iterative synthesis campaigns in API development.

Synthesis

  • Route1

    References

    • Valhondo, Margarita; Marco, Isabel; Martin-Fontecha, Mar; Vazquez-Villa, Henar; Ramos, Jose A.; Berkels, Reinhard; Lauterbach, Thomas; Benhamu, Bellinda; Lopez-Rodriguez, Maria L. Journal of Medicinal Chemistry, 2013 , vol. 56, # 20 p. 7851 - 7861
  • Route2
    • 2-(2-Phenoxyethyl)isoindoline-1,3-dione|CS-0580030
      83725-61-5
    • ~92%
    • In-stock
      2-Phenoxyethylamine|CS-W002257
      1758-46-9

    References

    • Harjani, Jitendra R.; Liang, Chen; Jessop, Philip G. Journal of Organic Chemistry, 2011 , vol. 76, # 6 p. 1683 - 1691
  • Route3
    • null|null
      70659-90-4
    • ~98%
    • In-stock
      2-Phenoxyethylamine|CS-W002257
      1758-46-9

    References

    • Lee, Jung Gyu; Choi, Kyung Il; Koh, Hun Yeong; Kim, Youseung; Kang, Yonghan; Cho, Yong Seo Synthesis, 2001 , # 1 p. 81 - 84

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 2735
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

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Computational Chemistry Data

  • TPSA   35.25
  • LogP   1.0241
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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