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CS-W001157 4
Total: USD 88.00

Ethyl 3-(benzylamino)butanoate

  • CAS No. 6335-80-4

  • Cat. No. CS-0361483
  • Purity≥97%
  • MDL No.None

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

Ethyl 3-(benzylamino)butanoate|CS-0361483

Structure of 6335-80-4

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General Information

  • CAS No. 6335-80-4
  • Cat. No. CS-0361483
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₉NO₂
  • Molecular Weight 221.30
  • Synonym(s) ethyl 3-[(phenylmethyl)amino]butanoate
  • SMILES CCOC(=O)CC(C)NCC1=CC=CC=C1

Synthesis

  • Route1
    • Ethyl (E)-3-(benzylamino)but-2-enoate|CS-0509243
      1020-67-3
    • ~75%
    • Ethyl 3-(benzylamino)butanoate|CS-0361483
      6335-80-4

    References

    • Tummatorn, Jumreang; Dudley, Gregory B. Organic Letters, 2011 , vol. 13, # 1 p. 158 - 160
  • Route2
    • null|null
      10544-63-5
    • null|null
      100-46-9
    • ~99%
    • Ethyl 3-(benzylamino)butanoate|CS-0361483
      6335-80-4

    References

    • Jenner, Gerard Tetrahedron Letters, 1995 , vol. 36, # 2 p. 233 - 236
  • Route3

    References

    • MITSUBISHI TANABE PHARMA CORPORATION; SANOFI-AVENTIS; WATANABE, Kazutoshi; NAKAYAMA, Kazuki; SAKAI, Daiki Patent: WO2010/114179 A1, 2010 ; Location in patent: Page/Page column 30 ; WO 2010/114179 A1

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   38.33
  • LogP   2.1179
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   6

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