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CS-W001157 4
Total: USD 88.00

Tert-butyl isobutyrate

  • CAS No. 16889-72-8

  • Cat. No. CS-0515455
  • Purity≥98%
  • MDL No.None

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

Tert-butyl isobutyrate|CS-0515455

Structure of 16889-72-8

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General Information

  • CAS No. 16889-72-8
  • Cat. No. CS-0515455
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₆O₂
  • Molecular Weight 144.21
  • Synonym(s) Tert-butyl 2-methylpropanoate
  • SMILES O=C(OC(C)(C)C)C(C)C

Description

Tert-butyl isobutyrate is a sterically hindered ester featuring a branched tert-butyl group and a compact isobutyl moiety. This combination imparts enhanced hydrolytic stability and reduced reactivity compared to linear analogs, making it well-suited for use in controlled release systems and as a solvent in sensitive synthetic transformations.

Application

Tert-butyl isobutyrate serves as a stable, bench-ready ester protecting group for carboxylic acids, offering high functional group tolerance and facile removal under mild acidic conditions. Its steric bulk minimizes side reactions during multi-step synthesis, while the tert-butyl moiety enables efficient purification via standard chromatographic methods. This reagent facilitates reliable deprotection in late-stage intermediates and is widely employed in the construction of complex molecular architectures, including pharmaceutical scaffolds and natural product analogs.

Safety Information

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GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 3272
Class : 3
Packing Group : Ⅱ
Hazard Statements : H225-H315-H319
Precautionary Statements : P210-P233-P240-P241-P242-P243-P264-P280-P362+P364-P370+P378-P501

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   1.9841
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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