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CS-W001157 4
Total: USD 88.00

(S)-1,4-Benzodioxane-2-carboxylic acid

  • CAS No. 70918-54-6

  • Cat. No. CS-W017222
  • Purity≥98%
  • MDL No.MFCD00239408

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

(S)-1,4-Benzodioxane-2-carboxylic acid|CS-W017222

Structure of 70918-54-6

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General Information

  • CAS No. 70918-54-6
  • Cat. No. CS-W017222
  • Purity ≥98%
  • MDL No. MFCD00239408
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈O₄
  • Molecular Weight 180.16
  • Synonym(s) (S)-2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid
  • SMILES O=C([C@H]1OC2=CC=CC=C2OC1)O

Description

(S)-1,4-Benzodioxane-2-carboxylic acid features a chiral benzylic center within a rigid, electron-rich benzodioxane scaffold, offering enhanced stability and predictable stereochemical behavior. This configuration enables selective coupling reactions in asymmetric synthesis, particularly in the construction of bioactive heterocycles and pharmaceutical intermediates.

Application

(S)-1,4-Benzodioxane-2-carboxylic acid serves as a versatile chiral building block for medicinal chemistry and natural product synthesis. Its rigid bicyclic structure imparts conformational stability, while the carboxylic acid group enables straightforward derivatization via amide, ester, or acyl chloride formation. The compound exhibits excellent bench stability and facilitates efficient purification by recrystallization or chromatography, making it well-suited for scale-up and integration into standard synthetic workflows.

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

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Computational Chemistry Data

  • TPSA   55.76
  • LogP   0.911
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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