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CS-W001157 4
Total: USD 88.00

Methyl 4-(tert-butyl)benzoate

  • CAS No. 26537-19-9

  • Cat. No. CS-W015808
  • Purity≥98%
  • MDL No.MFCD00008835

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

Methyl 4-(tert-butyl)benzoate|CS-W015808

Structure of 26537-19-9

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General Information

  • CAS No. 26537-19-9
  • Cat. No. CS-W015808
  • Purity ≥98%
  • MDL No. MFCD00008835
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆O₂
  • Molecular Weight 192.26
  • Synonym(s) Methyl 4-tert-butylbenzoate
  • SMILES O=C(OC)C1=CC=C(C(C)(C)C)C=C1

Description

Methyl 4-(tert-butyl)benzoate features a sterically hindered tert-butyl group that enhances stability and solubility in organic media. This derivative integrates readily into synthetic sequences requiring electron-rich aromatic esters, offering robust performance under standard bench conditions.

Application

Methyl 4-(tert-butyl)benzoate serves as a stable, bench-ready building block for the synthesis of functionalized aromatics and pharmaceutical intermediates. Its tert-butyl group provides steric shielding and enhanced stability, while the ester functionality enables straightforward hydrolysis or transformation into carboxylic acids, aldehydes, or amides. The compound exhibits excellent compatibility with standard coupling reactions and is readily purified by recrystallization or flash chromatography.

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      (4-(tert-Butyl)phenyl)methanol|CS-W014310
      877-65-6
    • ~96%
    • In-stock
      Methyl 4-(tert-butyl)benzoate|CS-W015808
      26537-19-9

    References

    • Nobuta, Tomoya; Fujiya, Akitoshi; Hirashima, Shin-Ichi; Tada, Norihiro; Miura, Tsuyoshi; Itoh, Akichika Tetrahedron Letters, 2012 , vol. 53, # 39 p. 5306 - 5308
  • Route2
    • null|null
      1184731-46-1
    • ~69%
    • In-stock
      Methyl 4-(tert-butyl)benzoate|CS-W015808
      26537-19-9
    • null|null
      3395-87-7

    References

    • Das, Arindam; Chaudhuri, Rupsha; Liu, Rai-Shung Chemical Communications, 2009 , # 27 p. 4046 - 4048
  • Route3
    • null|null
      67-56-1
    • In-stock
      1-Bromo-4-tert-butylbenzene|CS-W008710
      3972-65-4
    • null|null
      201230-82-2
    • ~88%
    • In-stock
      Methyl 4-(tert-butyl)benzoate|CS-W015808
      26537-19-9

    References

    • Kaganovsky, Luba; Gelman, Dmitri; Rueck-Braun, Karola Journal of Organometallic Chemistry, 2010 , vol. 695, # 2 p. 260 - 266

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+H312+H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.7707
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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