2-methyl-2-methylene-2l9-propa-1,2-diene compound with 3-(2-(1H-inden-3-yl)vinyl)-1-methylene-1,4-dihydronaphthalene (1:1) | 1229117-30-9

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 2-methyl-2-methylene-2l9-propa-1,2-diene compound with 3-(2-(1H-inden-3-yl)vinyl)-1-methylene-1,4-dihydronaphthalene (1:1)
• CAS: 1229117-30-9
• 化学式: C₁₈H₁₂N₂O₂*ClHO₄
• 分子量: 388.764
• InChiKey: WNEHNULAFBDQHF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.28
• 重原子数：
  27.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  148.3
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  2-methyl-2-methylene-2l9-propa-1,2-diene compound with 3-(2-(1H-inden-3-yl)vinyl)-1-methylene-1,4-dihydronaphthalene (1:1) 在 sodium tetrahydroborate 作用下， 以 乙腈 为溶剂， 反应 10.0h， 以42%的产率得到2-[2-(1H-indol-3-yl)vinyl]-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

• 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.