[4-亚甲基-1-(三氟乙酰基)-3-吡咯烷基]乙腈 | 220951-48-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 中文名称: [4-亚甲基-1-(三氟乙酰基)-3-吡咯烷基]乙腈
• 英文名称: 3-Pyrrolidineacetonitrile, 4-methylene-1-(trifluoroacetyl)-
• 英文别名: 2-[4-methylidene-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]acetonitrile
• CAS: 220951-48-4
• 化学式: C₉H₉F₃N₂O
• 分子量: 218.178
• InChiKey: YLAROMHQHSZOSB-UHFFFAOYSA-N

物化性质

• 沸点：
  363.1±42.0 °C(Predicted)
• 密度：
  1.29±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  triethylsilylcyanide 、 N-(2-bromoprop-2-enyl)-2,2,2-trifluoro-N-prop-2-enylacetamide 在 2,2'-联吡啶 、 bis(1,5-cyclooctadiene)nickel (0) 作用下， 以 乙腈 为溶剂， 反应 3.0h， 生成 N-(2-cyanoprop-2-enyl)-2,2,2-trifluoro-N-prop-2-enylacetamide 、 [4-亚甲基-1-(三氟乙酰基)-3-吡咯烷基]乙腈
  参考文献：
  名称：

  A catalytic version of a nickel promoted intramolecular tandem cyclization-cyanation process

  摘要：

  A catalytic version of the intramolecular Ni-promoted tandem cyclization-cyanation process is described. Generally, the reaction leads to mixtures of cyclic and open chain adducts in moderate to good yields. The presence of external bidendate nitrogen ligands, although not essential for the reaction outcome, provides stability to the catalytic system. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)80111-7

文献信息

• A catalytic version of a nickel promoted intramolecular tandem cyclization-cyanation process
  作者：Susana Hinojosa、Antonio Delgado、Amadeu Llebaria

  DOI：10.1016/s0040-4039(99)80111-7

  日期：1999.1

  A catalytic version of the intramolecular Ni-promoted tandem cyclization-cyanation process is described. Generally, the reaction leads to mixtures of cyclic and open chain adducts in moderate to good yields. The presence of external bidendate nitrogen ligands, although not essential for the reaction outcome, provides stability to the catalytic system. (C) 1999 Elsevier Science Ltd. All rights reserved.