3-甲基-7-(4-硝基苯基)-8-亚硝基-4-硫杂-1,6-二氮杂二环[3.3.0]辛a-2,5,7-三烯 | 699-41-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-甲基-7-(4-硝基苯基)-8-亚硝基-4-硫杂-1,6-二氮杂二环[3.3.0]辛a-2,5,7-三烯
• 英文名称: 1-(1,2-dihydroxycyclohexyl)ethanone
• 英文别名: (+/-)-1-(1,2c-dihydroxy-cyclohex-r-yl)-ethanone；(+/-)-1-(1,2c-Dihydroxy-cyclohex-r-yl)-aethanon；1-[(1R,2R)-1,2-dihydroxycyclohexyl]ethanone
• CAS: 699-41-2；17339-88-7；90113-58-9；135984-09-7；136031-95-3；136031-96-4；139165-64-3
• 化学式: C₈H₁₄O₃
• 分子量: 158.197
• InChiKey: XCXITQLIWIIHFX-SFYZADRCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-(7-oxabicyclo[4.1.0]hept-1-yl)ethanone 在 水 作用下， 反应 4.0h， 以84%的产率得到3-甲基-7-(4-硝基苯基)-8-亚硝基-4-硫杂-1,6-二氮杂二环[3.3.0]辛a-2,5,7-三烯
  参考文献：
  名称：

  Induced halogenation of alkyl cyclohexenyl ketones involving metal halides, hydrohalogenic acids, and hydrogen peroxide

  摘要：

  The induced halogenation and hydroxyhalogenation of alkyl cyclohexenyl ketones in a system [MHlg + HHlg or HHlg]-H(2)O(2) or in NaOCl was performed and optimum reaction conditions were established. Under mild conditions the electrophilic addition of the halogen or the acid occurred at the multiple bond of the ring with the formation of the corresponding dihalo or hydroxyhalo derivatives of cycloaliphatic ketones. From the compounds obtained epoxy- and dioxyketones of aliphatic series were prepared. Chloro(bromo)hydrins of ketones from the alkylcyclohexane series and oxiranes based thereon are reactive compounds and can be employed as synthons in the organic synthesis.

  DOI：

  10.1134/s107042800902002x

文献信息

• Achrem, Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1962, p. 845,849;engl.Ausg.S.787,790
  作者：Achrem

  DOI：——

  日期：——
• Elimination Reactions of Bicyclic Quaternary Salts. II. The Base Degradation of Pseudopelletierine Methiodide
  作者：J. Meinwald、S. L. Emerman

  DOI：10.1021/ja01600a072

  日期：1956.10
• Induced halogenation of alkyl cyclohexenyl ketones involving metal halides, hydrohalogenic acids, and hydrogen peroxide
  作者：O. A. Sadygov、Kh. M. Alimardanov

  DOI：10.1134/s107042800902002x

  日期：2009.2

  The induced halogenation and hydroxyhalogenation of alkyl cyclohexenyl ketones in a system [MHlg + HHlg or HHlg]-H(2)O(2) or in NaOCl was performed and optimum reaction conditions were established. Under mild conditions the electrophilic addition of the halogen or the acid occurred at the multiple bond of the ring with the formation of the corresponding dihalo or hydroxyhalo derivatives of cycloaliphatic ketones. From the compounds obtained epoxy- and dioxyketones of aliphatic series were prepared. Chloro(bromo)hydrins of ketones from the alkylcyclohexane series and oxiranes based thereon are reactive compounds and can be employed as synthons in the organic synthesis.