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CS-W001157 4
Total: USD 88.00

2-Oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonyl chloride

  • CAS No. 53439-87-5

  • Cat. No. CS-0071972
  • Purity≥97%
  • MDL No.None

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

2-Oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonyl chloride|CS-0071972

Structure of 53439-87-5

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General Information

  • CAS No. 53439-87-5
  • Cat. No. CS-0071972
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅ClN₂O₃S
  • Molecular Weight 232.64
  • Synonym(s) 2-Oxo-2,3-dihydro-1H-benzoimidazole-5-sulfonyl chloride
  • SMILES O=S(C(C=C1)=CC2=C1NC(N2)=O)(Cl)=O

Description

This sulfonyl chloride derivative features a fused benzodiazole core with a reactive acyl chloride group at the 5-position, enabling direct coupling in synthetic transformations. The electron-deficient aromatic system enhances electrophilicity, facilitating efficient incorporation into pharmaceutical and agrochemical scaffolds under mild conditions.

Application

2-Oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonyl chloride serves as a versatile building block for sulfonamide-containing heterocycles, enabling efficient construction of benzodiazepine-derived scaffolds. Its sulfonyl chloride functionality facilitates rapid derivatization with amines and alcohols under mild conditions, offering high functional group tolerance and bench stability. The molecule’s reactivity supports straightforward purification and is well-suited for integration into medicinal chemistry workflows targeting kinase inhibitors and CNS modulators.

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P280-P301+P330+P331-P304+P340

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Computational Chemistry Data

  • TPSA   82.79
  • LogP   0.7837
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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