ethyl 2-(cyanomethyl)-4-methyl-3-oxo-2,5,6,7-tetrahydro-1H-indene-4-carboxylate | 1266792-90-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: ethyl 2-(cyanomethyl)-4-methyl-3-oxo-2,5,6,7-tetrahydro-1H-indene-4-carboxylate
• CAS: 1266792-90-8
• 化学式: C₁₅H₁₉NO₃
• 分子量: 261.321
• InChiKey: UZEIBJUWFRWGKQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  67.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 2-(cyanomethyl)-4-methyl-3-oxo-2,5,6,7-tetrahydro-1H-indene-4-carboxylate 在 Ag₂CO₃ impregnated on Celite 、 二异丁基氢化铝 作用下， 以 甲苯 为溶剂， 生成
  参考文献：
  名称：

  First synthesis of (±)-sorgomol, the germination stimulant for root parasitic weeds isolated from Sorghum bicolor

  摘要：

  Sorgomol, isolated from Sorghum bicolor, is the germination stimulant for seeds of root parasitic weeds. The first synthesis of (+/-)-sorgomol has been achieved by starting from ethyl 2-oxocyclohexanecarboxylate. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.12.010
• 作为产物：
  描述：

  2-carbethoxy-2-methylcyclohexanone 在 六甲基磷酰三胺 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 生成 ethyl 2-(cyanomethyl)-4-methyl-3-oxo-2,5,6,7-tetrahydro-1H-indene-4-carboxylate
  参考文献：
  名称：

  First synthesis of (±)-sorgomol, the germination stimulant for root parasitic weeds isolated from Sorghum bicolor

  摘要：

  Sorgomol, isolated from Sorghum bicolor, is the germination stimulant for seeds of root parasitic weeds. The first synthesis of (+/-)-sorgomol has been achieved by starting from ethyl 2-oxocyclohexanecarboxylate. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.12.010

文献信息

• First synthesis of (±)-sorgomol, the germination stimulant for root parasitic weeds isolated from Sorghum bicolor
  作者：Saiko Kitahara、Takuya Tashiro、Yukihiro Sugimoto、Mitsuru Sasaki、Hirosato Takikawa

  DOI：10.1016/j.tetlet.2010.12.010

  日期：2011.2

  Sorgomol, isolated from Sorghum bicolor, is the germination stimulant for seeds of root parasitic weeds. The first synthesis of (+/-)-sorgomol has been achieved by starting from ethyl 2-oxocyclohexanecarboxylate. (C) 2010 Elsevier Ltd. All rights reserved.