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CS-W001157 4
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2-Oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonyl chloride

  • CAS No. 78633-41-7

  • Cat. No. CS-0071035
  • Purity≥97%
  • MDL No.None

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

2-Oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonyl chloride|CS-0071035

Structure of 78633-41-7

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General Information

  • CAS No. 78633-41-7
  • Cat. No. CS-0071035
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄ClNO₄S
  • Molecular Weight 233.63
  • Synonym(s) 5-Benzoxazolesulfonylchloride,2,3-dihydro-2-oxo-(9CI)
  • SMILES O=S(C1=CC=C2OC(NC2=C1)=O)(Cl)=O

Description

This sulfonyl chloride derivative features a benzoxazole core with a reactive sulfonyl chloride group, enabling efficient coupling in synthetic transformations. The electron-deficient aromatic system enhances electrophilicity, while the fused heterocyclic framework provides structural rigidity and stability under standard conditions.

Application

2-Oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonyl chloride serves as a versatile sulfonylating agent in synthetic organic chemistry, enabling efficient introduction of sulfonamide functionalities under mild conditions. Its stability and compatibility with diverse functional groups facilitate direct derivatization of nucleophiles such as amines and alcohols. The molecule functions as a key intermediate in the construction of bioactive heterocyclic scaffolds, particularly in medicinal chemistry campaigns involving benzoxazole-based lead optimization.

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-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

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Computational Chemistry Data

  • TPSA   80.14
  • LogP   1.0486
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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