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CS-W001157 4
Total: USD 88.00

6-Bromoisobenzofuran-1(3H)-one

  • CAS No. 19477-73-7

  • Cat. No. CS-W003083
  • Molecule weight213.03
  • Purity≥96%
  • MDL No.MFCD03428561

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

6-Bromoisobenzofuran-1(3H)-one|CS-W003083

Structure of 19477-73-7

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General Information

  • CAS No. 19477-73-7
  • Cat. No. CS-W003083
  • Purity ≥96%
  • MDL No. MFCD03428561
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅BrO₂
  • Molecular Weight 213.03
  • Synonym(s) 6-Bromophthalide
  • SMILES Brc1ccc2c(c1)C(=O)OC2

Description

6-Bromoisobenzofuran-1(3H)-one features a brominated isobenzofuranone core with high reactivity at the 6-position, enabling direct functionalization in cross-coupling and nucleophilic substitution reactions. The electron-deficient lactone ring enhances its utility in synthetic transformations, while the bench-stable crystalline form simplifies handling and storage under standard conditions.

Application

6-Bromoisobenzofuran-1(3H)-one serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its stable bromine substituent. The isobenzofuranone core provides inherent rigidity and polarity, enhancing solubility and metabolic stability in target molecules. Its bench-stable crystalline form facilitates handling and purification, while compatibility with diverse functional groups supports efficient late-stage diversification in API synthesis.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.1195
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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