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CS-W001157 4
Total: USD 88.00

3-Acetoxy-2-benzylpropanoic acid

  • CAS No. 187610-68-0

  • Cat. No. CS-M1745
  • Purity≥98%
  • MDL No.None

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

3-Acetoxy-2-benzylpropanoic acid|CS-M1745

Structure of 187610-68-0

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General Information

  • CAS No. 187610-68-0
  • Cat. No. CS-M1745
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄O₄
  • Molecular Weight 222.24
  • Synonym(s) Benzenepropanoic acid, -alpha--[(acetyloxy)methyl]- (9CI)
  • SMILES OC(C(COC(C)=O)CC1=CC=CC=C1)=O

Synthesis

  • Route1
    • 2-Benzyl-3-hydroxypropyl acetate|CS-M1748
      90107-01-0
    • ~75%
    • 3-Acetoxy-2-benzylpropanoic acid|CS-M1745
      187610-68-0

    References

    • Kim, Dong H.; Park, Jeong-il; Chung, Sang J.; Park, Jung Dae; Park, No-Kyung; Han, Jong Hoon Bioorganic and Medicinal Chemistry, 2002 , vol. 10, # 8 p. 2553 - 2560
  • Route2
    • Hydrocinnamic acid, 99%|CS-1269054
      501-52-0
    • ~%
    • 3-Acetoxy-2-benzylpropanoic acid|CS-M1745
      187610-68-0

    References

    • Fincham, Christopher I.; Higginbottom, Michael; Hill, David R.; Horwell, David C.; O'Toole, John C; et al. Journal of Medicinal Chemistry, 1992 , vol. 35, # 8 p. 1472 - 1484

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   1.493
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   5

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