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CS-W001157 4
Total: USD 88.00

Ethyl 2-cyano-2-(3,4-dimethoxyphenyl)acetate

  • CAS No. 36848-69-8

  • Cat. No. CS-D0092
  • Purity≥98%
  • MDL No.MFCD03412574

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

Ethyl 2-cyano-2-(3,4-dimethoxyphenyl)acetate|CS-D0092

Structure of 36848-69-8

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General Information

  • CAS No. 36848-69-8
  • Cat. No. CS-D0092
  • Purity ≥98%
  • MDL No. MFCD03412574
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₅NO₄
  • Molecular Weight 249.26
  • Synonym(s) Cyano(3,4-dimethoxyphenyl)acetic acid ethyl ester
  • SMILES COC1=C(OC)C=C(C(C#N)C(OCC)=O)C=C1

Synthesis

  • Route1

    References

    • F. HOFFMANN-LA ROCHE AG Patent: WO2004/101528 A2, 2004 ; Location in patent: Page 83; 84 ;
  • Route2

    References

    • Todorovic, Nick; Awuah, Emelia; Albu, Silvia; Ozimok, Cory; Capretta, Alfredo Organic Letters, 2011 , vol. 13, # 23 p. 6180 - 6183
  • Route3

    References

    • Hoffmann-La Roche Inc. Patent: US5302727 A1, 1994 ;

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   68.55
  • LogP   1.87408
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   5

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