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CS-W001157 4
Total: USD 88.00

(E)-4-(tert-Butoxy)-4-oxobut-2-enoic acid

  • CAS No. 135355-96-3

  • Cat. No. CS-0131262
  • Purity≥97%
  • MDL No.MFCD08669525

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

(E)-4-(tert-Butoxy)-4-oxobut-2-enoic acid|CS-0131262

Structure of 135355-96-3

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General Information

  • CAS No. 135355-96-3
  • Cat. No. CS-0131262
  • Purity ≥97%
  • MDL No. MFCD08669525
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂O₄
  • Molecular Weight 172.18
  • Synonym(s) Fumaric Acid tert-Butyl Ester
  • SMILES O=C(OC(C)(C)C)/C=C/C(O)=O

Description

This (E)-configured enoate integrates a tert-butoxy carbonyl group with a conjugated ketone, delivering enhanced stability and solubility in organic media. The stereochemically defined double bond enables precise participation in Diels-Alder cycloadditions and Michael additions, while the electron-withdrawing oxo and ester functionalities facilitate controlled reactivity under mild conditions.

Safety Information

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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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   0.9689
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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