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tert-Butyl 2-{3-[3-(3,4-dimethoxyphenyl)propanoyl]phenoxy}acetate

  • CAS No. 178445-86-8

  • Cat. No. CS-0126653
  • Molecule weight400.47
  • Purity≥98%
  • MDL No.MFCD06245368

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

tert-Butyl 2-{3-[3-(3,4-dimethoxyphenyl)propanoyl]phenoxy}acetate|CS-0126653

Structure of 178445-86-8

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General Information

  • CAS No. 178445-86-8
  • Cat. No. CS-0126653
  • Purity ≥98%
  • MDL No. MFCD06245368
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₃H₂₈O₆
  • Molecular Weight 400.47
  • Synonym(s) None
  • SMILES O=C(OC(C)(C)C)COC1=CC=CC(C(CCC2=CC=C(OC)C(OC)=C2)=O)=C1

Synthesis

  • Route1
    • null|null
      5292-43-3
    • In-stock
      3-(3,4-Dimethoxyphenyl)-1-(3-hydroxyphenyl)propan-1-one|CS-0126652
      178445-83-5
    • ~10%
    • In-stock
      tert-Butyl 2-{3-[3-(3,4-dimethoxyphenyl)propanoyl]phenoxy}acetate|CS-0126653
      178445-86-8

    References

    • Keenan, Terence; Yaeger, David R.; Courage, Nancy L.; Rollins, Carl T.; Pavone, Mary Ellen; Rivera, Victor M.; Yang, Wu; Guo, Tao; Amara, Jane F.; Clackson, Tim; Gilman, Michael; Holt, Dennis A. Bioorganic and Medicinal Chemistry, 1998 , vol. 6, # 8 p. 1309 - 1335
  • Route2

    References

    • ARIAD PHARMACEUTICALS, INCORPORATED; LI, Feng; WANG, Yihan Patent: WO2012/103279 A2, 2012 ;
  • Route3

    References

    • ARIAD PHARMACEUTICALS, INCORPORATED; LI, Feng; WANG, Yihan Patent: WO2012/103279 A2, 2012 ;

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

Quality Control

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Computational Chemistry Data

  • TPSA   71.06
  • LogP   4.2398
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   9

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