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CS-W001157 4
Total: USD 88.00

Ethyl 2-(4-tert-butylphenyl)-2-oxoacetate

  • CAS No. 80120-36-1

  • Cat. No. CS-0251607
  • Molecule weight234.29
  • Purity≥97%
  • MDL No.None

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

Ethyl 2-(4-tert-butylphenyl)-2-oxoacetate|CS-0251607

Structure of 80120-36-1

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General Information

  • CAS No. 80120-36-1
  • Cat. No. CS-0251607
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₈O₃
  • Molecular Weight 234.29
  • Synonym(s) Ethyl 4-tert-butylbenzoylformate
  • SMILES CCOC(=O)C(=O)C1=CC=C(C=C1)C(C)(C)C

Synthesis

  • Route1
    • null|null
      109-72-8
    • In-stock
      1-Bromo-4-tert-butylbenzene|CS-W008710
      3972-65-4
    • null|null
      95-92-1
    • ~28%
    • In-stock
      Ethyl 2-(4-tert-butylphenyl)-2-oxoacetate|CS-0251607
      80120-36-1

    References

    • SMITHKLINE BEECHAM CORPORATION Patent: WO2008/89052 A2, 2008 ; Location in patent: Page/Page column 42 ; WO 2008/089052 A2
  • Route2
    • null|null
      253185-03-4
    • null|null
      4755-77-5
    • ~95%
    • In-stock
      Ethyl 2-(4-tert-butylphenyl)-2-oxoacetate|CS-0251607
      80120-36-1

    References

    • Song, Hongjian; Liu, Yuxiu; Xiong, Lixia; Li, Yongqiang; Yang, Na; Wang, Qingmin Journal of Agricultural and Food Chemistry, 2012 , vol. 60, # 6 p. 1470 - 1479
  • Route3
    • In-stock
      1-Bromo-4-tert-butylbenzene|CS-W008710
      3972-65-4
    • null|null
      95-92-1
    • ~%
    • In-stock
      Ethyl 2-(4-tert-butylphenyl)-2-oxoacetate|CS-0251607
      80120-36-1

    References

    • Organic Letters, , vol. 13, # 24 p. 6520 - 6523

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-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   2.7299
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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