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Methyl 2-benzamido-3-chloropropanoate

  • CAS No. 33646-32-1

  • Cat. No. CS-0332829
  • Molecule weight241.67
  • Purity≥95%
  • MDL No.None

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

Methyl 2-benzamido-3-chloropropanoate|CS-0332829

Structure of 33646-32-1

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General Information

  • CAS No. 33646-32-1
  • Cat. No. CS-0332829
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂ClNO₃
  • Molecular Weight 241.67
  • Synonym(s) methyl 2-benzamido-3-chloro-propanoate
  • SMILES C(NC(C(=O)OC)CCl)(=O)C1=CC=CC=C1

Synthesis

  • Route1
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      56410-68-5
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    • ~%
    • Methyl 2-benzamido-3-chloropropanoate|CS-0332829
      33646-32-1

    References

    • Esslinger, C. Sean; Koch, Hans P.; Kavanaugh, Michael P.; Philips, Dean P.; Chamberlin, A. Richard; Thompson, Charles M.; Bridges, Richard J. Bioorganic and Medicinal Chemistry Letters, 1998 , vol. 8, # 21 p. 3101 - 3106
  • Route2
    • null|null
      98-88-4
    • ~%
    • Methyl 2-benzamido-3-chloropropanoate|CS-0332829
      33646-32-1

    References

    • Painter Journal of the American Chemical Society, 1947 , vol. 69, p. 232
  • Route3

    References

    • Hughes, Philip; Martin, Michael; Clardy, Jon Tetrahedron Letters, 1980 , vol. 21, # 48 p. 4579 - 4580

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

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Computational Chemistry Data

  • TPSA   55.4
  • LogP   1.1968
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   4

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