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CS-W001157 4
Total: USD 88.00

2',4',5',7'-Tetrabromo-3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-carboxylic acid

  • CAS No. 3561-24-8

  • Cat. No. CS-0451618
  • Purity≥97%
  • MDL No.MFCD22381062

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

2',4',5',7'-Tetrabromo-3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-carboxylic acid|CS-0451618

Structure of 3561-24-8

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General Information

  • CAS No. 3561-24-8
  • Cat. No. CS-0451618
  • Purity ≥97%
  • MDL No. MFCD22381062
  • Storage RT, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₁H₈Br₄O₇
  • Molecular Weight 691.90
  • Synonym(s) None
  • SMILES C1=CC2=C(C=C1C(=O)O)C3(C4=C(C(=C(C(=C4)Br)O)Br)OC5=C3C=C(C(=C5Br)O)Br)OC2=O

Description

This spirocyclic xanthene derivative features four bromine atoms at the 2',4',5',7' positions and hydroxyl groups flanking a central ketone, enabling robust conjugation and enhanced electron-withdrawing character. The carboxylic acid functionality at the 6-position supports direct coupling in bioconjugation workflows. This structure combines high polarity with thermal stability, offering precise spatial control for probe design in fluorescent labeling applications.

Application

2',4',5',7'-Tetrabromo-3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-carboxylic acid serves as a versatile spirocyclic scaffold for the synthesis of functionalized xanthene-based architectures. Its brominated framework enables palladium-catalyzed cross-coupling reactions, while the hydroxyl and carboxylic acid groups provide sites for derivatization and conjugation. The compound exhibits bench stability and facilitates purification via standard chromatographic methods, making it suitable for iterative synthetic workflows in medicinal chemistry and materials science applications.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   113.29
  • LogP   6.414
  • H_Acceptors   6
  • H_Donors   3
  • Rotatable_Bonds   1

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