[Isocyano-(toluene-4-sulfonyl)-methylene]-cycloheptane | 74781-10-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Isocyano-(toluene-4-sulfonyl)-methylene]-cycloheptane
• 英文别名: [Isocyano-(4-methylphenyl)sulfonylmethylidene]cycloheptane
• CAS: 74781-10-5
• 化学式: C₁₆H₁₉NO₂S
• 分子量: 289.398
• InChiKey: DLZMGBDJSVDRKQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  46.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [Isocyano-(toluene-4-sulfonyl)-methylene]-cycloheptane 在 苄基三乙基氯化铵 氢氧化钾 、 potassium tert-butylate 作用下， 以 苯 为溶剂， 反应 2.17h， 生成 [5-Cyclohept-1-enyl-1-methyl-4-((E)-styryl)-1H-pyrrol-3-yl]-phenyl-methanone
  参考文献：
  名称：

  Chemistry of sulfonylmethyl isocyanides. 30. A new synthesis of indoles by electrocyclic ring closure of dialkenylpyrroles. Synthesis of alkenylpyrroles from 1-tosylalkenyl isocyanides and Michael acceptors

  摘要：

  DOI：

  10.1021/jo00372a006

文献信息

• A new synthetic approach to the benzazole ring system. Synthesis and electrocyclic ring closure of dialkenyl and alkenyl-aryl substituted pyrroles, imidazoles and oxazoles
  作者：Janusz Moskal、Pens van Stralen、Djurre Postma、Albert M. van Leusen

  DOI：10.1016/s0040-4039(00)84479-2

  日期：1986.1

  An efficient synthesis is described of the substituted azoles referred to in the title, which are precursors of an equally successful new synthetic approach to indoles, benzimidazoles and benzoxazoles.

  描述了标题中所述的取代的吡咯的有效合成，它们是同等成功的吲哚，苯并咪唑和苯并恶唑的新合成方法的前体。
• Isocyanoalkenes, process and useful intermediates for their preparation, pharmaceutical and fungicidal preparations containing those isocyanoalkenes and the use of the fungicidal preparations in agriculture
  申请人：GIST-BROCADES N.V.

  公开号：EP0007672A1

  公开（公告）日：1980-02-06

  Isocysnoalksnes, process and useful intermediates for their preparation, pharmaceutical and fungicidal preparations containing those isocyanoalkenes and the use of the fungicidal preparations in agriculture, the isocyanoalkenes having the general formula: wherein Rx and Ry are the same or different and each is a hydrogen atom or an alkyl, aryl or heterocyclic group and Rx and Ry together with the carbon atom to which they are attached represent a homo- or heterogeneous cydoal- kylidene, adamantylidene or cholestamtlidene group, Rw is an alkylidene group or Rw together with Rx and the carbon atom to which they are attached represent a homo- or heterogeneous cycloalkenyl group and Rz is an aryl group.

  异氰基烯烃、制备它们的工艺和有用中间体、含有这些异氰基烯烃的药物和杀菌制剂以及这些杀菌制剂在农业中的用途，这些异氰基烯烃具有通式： 其中 Rx 和 Ry 相同或不同，且各自为氢原子或烷基、芳基或杂环基团，Rx 和 Ry 与它们所连接的碳原子一起代表同族或异族的亚烷基、亚金刚烷基或亚胆烷基，Rw 为亚烷基或 Rw 与 Rx 和它们所连接的碳原子一起代表同族或异族的环烯基，Rz 为芳基。