CAS 860648-66-4

2-(2-Chloroethyl)-6-(ethylsulfonyl)-2H-1,4-benzoxazin-3(4H)-one

Description:

2-(2-Chloroethyl)-6-(ethylsulfonyl)-2H-1,4-benzoxazin-3(4H)-one is a synthetic organic compound characterized by its unique structural features, which include a benzoxazine core with a chloroethyl and an ethylsulfonyl substituent. This compound typically exhibits a solid state at room temperature and is soluble in organic solvents, reflecting its non-polar characteristics. The presence of the chloroethyl group suggests potential reactivity, particularly in nucleophilic substitution reactions, while the ethylsulfonyl moiety may enhance its solubility and stability. The benzoxazine structure is known for its applications in polymer chemistry and as a precursor in the synthesis of various biologically active compounds. Additionally, the compound may exhibit biological activity, making it of interest in pharmaceutical research. Safety data should be consulted for handling and storage, as the presence of chlorine can imply toxicity or environmental hazards. Overall, this compound represents a versatile building block in organic synthesis and medicinal chemistry.

Formula: C₁₂H₁₄ClNO₄S

InChI: InChI=1S/C12H14ClNO4S/c1-2-19(16,17)8-3-4-10-9(7-8)14-12(15)11(18-10)5-6-13/h3-4,7,11H,2,5-6H2,1H3,(H,14,15)

InChI key: InChIKey=LTQWDVIQLOGLAW-UHFFFAOYSA-N

SMILES: S(CC)(=O)(=O)C=1C=C2C(OC(CCCl)C(=O)N2)=CC1

Synonyms:

• 2-(2-Chloroethyl)-6-(ethylsulfonyl)-2H-1,4-benzoxazin-3(4H)-one
• 2H-1,4-Benzoxazin-3(4H)-one, 2-(2-chloroethyl)-6-(ethylsulfonyl)-