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CS-W001157 4
Total: USD 88.00

Ethyl mandelate

  • CAS No. 774-40-3

  • Cat. No. CS-0071062
  • Purity≥97%
  • MDL No.MFCD00004494

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

Ethyl mandelate|CS-0071062

Structure of 774-40-3

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General Information

  • CAS No. 774-40-3
  • Cat. No. CS-0071062
  • Purity ≥97%
  • MDL No. MFCD00004494
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₃
  • Molecular Weight 180.20
  • Synonym(s) None
  • SMILES O=C(OCC)C(O)C1=CC=CC=C1

Description

Ethyl mandelate features a benzyl-bearing ester moiety that integrates seamlessly into asymmetric synthesis workflows. This bench-stable, moisture-tolerant reagent enables direct functionalization of chiral intermediates through efficient esterification protocols under mild conditions.

Synthesis

  • Route1
    • null|null
      924-44-7
    • In-stock
      Phenylboronic acid|CS-W001090
      98-80-6
    • ~10%
    • In-stock
      Ethyl mandelate|CS-0071062
      774-40-3

    References

    • Marques, Carolina S.; Burke, Anthony J. Tetrahedron, 2012 , vol. 68, # 35 p. 7211 - 7216
  • Route2

    References

    • Dupas, G.; Bourguignon, J.; Ruffin, C.; Queguiner, G. Tetrahedron Letters, 1982 , vol. 23, # 49 p. 5141 - 5144
  • Route3
    • null|null
      64-17-5
    • (R)-2-Hydroxy-2-phenylacetic acid  Pregabalin Impurity|CS-0167074
      611-71-2
    • ~97%
    • In-stock
      Ethyl mandelate|CS-0071062
      774-40-3

    References

    • Dhanawat, Meenakshi; Banerjee, Anupam G.; Shrivastava, S. K. Medicinal Chemistry Research, 2012 , vol. 21, # 10 p. 2807 - 2822,16

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   1.2831
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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