6'-amino-1'-benzyl-1,3-dioxo-2'-(trichloromethyl)-1,3-dihydro-1'H-spiro[indene-2,4'-pyrimidine]-5'-carbonitrile | 1609700-07-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 6'-amino-1'-benzyl-1,3-dioxo-2'-(trichloromethyl)-1,3-dihydro-1'H-spiro[indene-2,4'-pyrimidine]-5'-carbonitrile
• 英文别名: 6'-Amino-1'-benzyl-1,3-dioxo-2'-(trichloromethyl)spiro[indene-2,4'-pyrimidine]-5'-carbonitrile；6'-amino-1'-benzyl-1,3-dioxo-2'-(trichloromethyl)spiro[indene-2,4'-pyrimidine]-5'-carbonitrile
• CAS: 1609700-07-3
• 化学式: C₂₁H₁₃Cl₃N₄O₂
• 分子量: 459.719
• InChiKey: UJBVNIZDJZOATO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  30
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  99.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  苄胺 以 二氯甲烷 为溶剂， 反应 4.08h， 生成 6'-amino-1'-benzyl-1,3-dioxo-2'-(trichloromethyl)-1,3-dihydro-1'H-spiro[indene-2,4'-pyrimidine]-5'-carbonitrile
  参考文献：
  名称：

  Tandem synthesis of trichloromethylated [3.3.3]propellanes from trichloroacetamidines and a ninhydrin–malononitrile adduct

  摘要：

  The trichloroacetamidine intermediates, generated by addition of benzylamine derivatives to trichloro-acetonitrile, react with the Knoevenagel condensation product of ninhydrin and malononitrile to afford trichloromethylated [3.3.3]propellanes, in good yields. When benzylamine was used, a plane-symmetri-call cal spiro-compound was obtained. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.03.124