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CS-W001157 4
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tert-Butyl 2-(3-bromophenyl)acetate

  • CAS No. 197792-52-2

  • Cat. No. CS-0154838
  • Purity≥97%
  • MDL No.MFCD19026476

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

tert-Butyl 2-(3-bromophenyl)acetate|CS-0154838

Structure of 197792-52-2

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General Information

  • CAS No. 197792-52-2
  • Cat. No. CS-0154838
  • Purity ≥97%
  • MDL No. MFCD19026476
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅BrO₂
  • Molecular Weight 271.15
  • Synonym(s) 2-Methyl-2-propanyl (3-bromophenyl)acetate
  • SMILES CC(C)(C)OC(=O)CC1=CC(=CC=C1)Br

Description

tert-Butyl 2-(3-bromophenyl)acetate features a brominated phenyl group attached to a benzylic acetate, enabling direct functionalization in cross-coupling reactions. The tert-butyl ester provides enhanced stability and ease of handling under standard conditions. This compound serves as a key intermediate in the synthesis of bioactive arylated molecules.

Application

tert-Butyl 2-(3-bromophenyl)acetate serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions due to its stable bromoaryl functionality. The tert-butyl ester group offers excellent bench stability and can be selectively removed under mild acidic conditions. Its compatibility with a range of reaction conditions facilitates efficient construction of biaryl scaffolds and functionalized heterocycles common in medicinal chemistry.

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+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   3.3333
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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