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CS-W001157 4
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Ethyl 2-(3,5-dimethoxyphenyl)acetate

  • CAS No. 65976-77-4

  • Cat. No. CS-W022642
  • Molecule weight224.25
  • Purity≥98%
  • MDL No.MFCD11111879

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

Ethyl 2-(3,5-dimethoxyphenyl)acetate|CS-W022642

Structure of 65976-77-4

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General Information

  • CAS No. 65976-77-4
  • Cat. No. CS-W022642
  • Purity ≥98%
  • MDL No. MFCD11111879
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆O₄
  • Molecular Weight 224.25
  • Synonym(s) Ethyl 2-(3,5-dimethoxyphenyl)
  • SMILES O=C(OCC)CC1=CC(OC)=CC(OC)=C1

Description

Ethyl 2-(3,5-dimethoxyphenyl)acetate features a phenyl core flanked by two methoxy groups, enhancing solubility and electronic density. This bench-stable ester integrates readily into coupling reactions and serves as a key intermediate in synthesizing bioactive molecules with tailored polarity and metabolic stability.

Application

Ethyl 2-(3,5-dimethoxyphenyl)acetate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted phenylacetic acid derivatives. The ortho-dimethoxy substitution pattern confers enhanced stability and favorable solubility, while the ester functionality permits straightforward hydrolysis or transformation into carboxylic acids, amides, or other downstream motifs. Its compatibility with standard coupling reactions and robustness under routine purification make it a practical choice for medicinal chemistry and process development workflows.

Synthesis

  • Route1
    • null|null
      64-17-5
    • In-stock
      2-(3,5-Dimethoxyphenyl)acetic acid|CS-W002109
      4670-10-4
    • ~94%
    • In-stock
      Ethyl 2-(3,5-dimethoxyphenyl)acetate|CS-W022642
      65976-77-4

    References

    • Xia, Zebin; Cao, Xihua; Rico-Bautista, Elizabeth; Yu, Jinghua; Chen, Liqun; Chen, Jiebo; Bobkov, Andrey; Wolf, Dieter A.; Zhang, Xiao-Kun; Dawson, Marcia I. MedChemComm, 2013 , vol. 4, # 2 p. 332 - 339
  • Route2

    References

    • AstraZeneca AB Patent: US6255301 B1, 2001 ; US 6255301 B1
  • Route3

    References

    • Shang, Rui; Ji, Dong-Sheng; Chu, Ling; Fu, Yao; Liu, Lei Angewandte Chemie - International Edition, 2011 , vol. 50, # 19 p. 4470 - 4474

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H227-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   44.76
  • LogP   1.8094
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   5

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