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CS-W001157 4
Total: USD 88.00

tert-Butyl 4-bromoisoindoline-2-carboxylate

  • CAS No. 1035235-27-8

  • Cat. No. CS-W005404
  • Purity≥97%
  • MDL No.MFCD10700130

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

tert-Butyl 4-bromoisoindoline-2-carboxylate|CS-W005404

Structure of 1035235-27-8

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General Information

  • CAS No. 1035235-27-8
  • Cat. No. CS-W005404
  • Purity ≥97%
  • MDL No. MFCD10700130
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆BrNO₂
  • Molecular Weight 298.18
  • Synonym(s) tert-butyl-4-bromoisoindoline-2-carboxylate
  • SMILES O=C(N1CC2=C(C(Br)=CC=C2)C1)OC(C)(C)C

Description

tert-Butyl 4-bromoisoindoline-2-carboxylate features a sterically hindered tert-butyl ester paired with a brominated isoindoline scaffold, enabling direct functionalization in late-stage diversification. This bench-stable reagent integrates readily into cross-coupling workflows and serves as a key intermediate for bioactive heterocycles.

Application

tert-Butyl 4-bromoisoindoline-2-carboxylate serves as a versatile building block for isoindoline-based scaffolds in medicinal chemistry. The bromo group enables palladium-catalyzed cross-coupling reactions, while the tert-butyl ester offers stability and convenient deprotection under mild acidic conditions. This compound facilitates efficient synthesis of complex heterocycles and functionalized intermediates relevant to API development.

Synthesis

  • Route1
    • 4-Bromoisoindoline|CS-0055020
      127168-81-4
    • In-stock
      Di-tert-butyl dicarbonate|CS-0017817
      24424-99-5
    • ~%
    • In-stock
      tert-Butyl 4-bromoisoindoline-2-carboxylate|CS-W005404
      1035235-27-8

    References

    • US2008/171754 A1, ; Page/Page column 104 ; US 20080171754 A1

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

Quality Control

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Computational Chemistry Data

  • TPSA   29.54
  • LogP   3.6998
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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