2-styryl-1,3-benzoxazinonium perchlorate | 56429-66-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 2-styryl-1,3-benzoxazinonium perchlorate
• 英文别名: 2-styryl-benzo[e][1,3]oxazin-4-one; perchlorate；2-(2-phenylethenyl)-1,3-benzoxazin-3-ium-4-one;perchlorate
• CAS: 56429-66-4
• 化学式: C₁₆H₁₁NO₂*ClHO₄
• 分子量: 349.727
• InChiKey: JLPOYIAMVFWFJK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.77
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  110
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-styryl-1,3-benzoxazinonium perchlorate 在 sodium tetrahydroborate 作用下， 以 乙腈 为溶剂， 以52%的产率得到2-(2-phenylethyl)-2,3-dihydro-4-oxo-1,3-benzoxazine
  参考文献：
  名称：

  Reactions of 4-oxo-1,3-benzoxazinium perchlorates with sodium borohydride

  摘要：

  Reduction of 4-oxo-1,3-benzoxazinium perchlorates with sodium borohydride depending on the structure of starting salt and the reaction conditions leads to different products. 2-Alkyl- and 2-phenylsubstituted salts react with sodium borohydride to give 2,3-dihydro-4-oxo-1,3-benzoxazines. 2-Arylvinyl- and 2-heterylvinyl-substituted perchlorates either form 4-oxo-1,3-benzoxazines or undergo hydrogenation to aryl- or heterylethyldihydrobenzoxazinones.

  DOI：

  10.1134/s1070363209070184

文献信息

• Ryabukhin, Yu. I.; Faleeva, L. N.; Gorbunova, M. O., Journal of Organic Chemistry USSR (English Translation), 1988, vol. 24, # 9, p. 1794 - 1800
  作者：Ryabukhin, Yu. I.、Faleeva, L. N.、Gorbunova, M. O.、Kovaleva, T. V.、Uflyand, I. E.、Sheinker, V. N.

  DOI：——

  日期：——
• Dorofeenko,G.N. et al., Journal of Organic Chemistry USSR (English Translation), 1977, vol. 13, p. 2289 - 2290
  作者：Dorofeenko,G.N. et al.

  DOI：——

  日期：——
• Vedernikova, I. V.; Konstantinchenko, A. A.; Ryabukhin, Yu. I., Bulletin des Societes Chimiques Belges, 1991, vol. 100, # 2, p. 175 - 181
  作者：Vedernikova, I. V.、Konstantinchenko, A. A.、Ryabukhin, Yu. I.

  DOI：——

  日期：——
• Synthesis of 4-alkylthio-2-(o-hydroxyphenyl)-1,3,5-triazines by recyclization of 4-oxo-1,3-benzoxazine perchlorates
  作者：Yu. I. Ryabukhin、O. B. Korzhavina、O. Yu. Ryabukhina、A. G. Gasanov、A. D. Garnovskii

  DOI：10.1007/bf00473868

  日期：1989.12
• Synthesis of 1-(benzothiazol-2-yl)-5-(o-hydroxyphenyl)-1H-1,2,4-triazoles
  作者：A. D. Vikrishchuk、L. D. Popov、N. I. Vikrishchuk、P. G. Morozov、I. E. Mikhailov

  DOI：10.1134/s107036321101021x

  日期：2011.1

  Recyclization of 4-oxo-1,3-benzoxazinium perchlorates by the action of benzothiazolylhydrazine gave previously unknown benzothiazolyl-substituted 1,2,4-triazoles that attract interest as potential biologically active substances. The structure of the isolated compounds was determined on the basis of their IR and H-1 and C-13 NMR spectra.