环喷托酯杂质 | 36882-00-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 环喷托酯杂质
• 英文名称: DMAE phenylacetate
• 英文别名: 2-dimethylaminoethyl phenylacetate；phenyl-acetic acid-(2-dimethylamino-ethyl ester)；Phenyl-essigsaeure-(2-dimethylamino-aethylester)；N,N-dimethyl-2-aminoethyl phenylacetate；Acetic acid, phenyl-, 2-(dimethylamino)ethyl ester；2-(dimethylamino)ethyl 2-phenylacetate
• CAS: 36882-00-5
• 化学式: C₁₂H₁₇NO₂
• 分子量: 207.272
• InChiKey: KJAORRLXEXMTSY-UHFFFAOYSA-N

物化性质

• 沸点：
  164-165 °C(Press: 23 Torr)
• 密度：
  1.041±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  环喷托酯杂质 、 碘甲烷 以 乙酸乙酯 为溶剂， 反应 1.5h， 生成 phenylacetylcholine
  参考文献：
  名称：

  A versatile and efficient methodology for the preparation of choline ester auxin conjugates

  摘要：

  A two-step synthetic strategy affords indole-3-acetylcholine (IAC) from indole-3-acetic acid (IAA) via the intermediacy of 2-dimethylaminoethyl indole-3-acetate. Thus, treatment of indole-3-acetate with 1-dimethylamino-2 chloroethane, followed by methylation with methyl iodide, yields 55-70% recrystallized IAC from IAA. Using the same methodology, six analogues of IAC have been prepared in overall yields ranging from 40 to 60%.

  DOI：

  10.1016/0031-9422(95)00460-o
• 作为产物：
  描述：

  苯乙酸 、 2-氯-N,N-二甲基乙胺 在 potassium carbonate 作用下， 以 乙酸乙酯 为溶剂， 反应 5.0h， 生成 环喷托酯杂质
  参考文献：
  名称：

  A versatile and efficient methodology for the preparation of choline ester auxin conjugates

  摘要：

  A two-step synthetic strategy affords indole-3-acetylcholine (IAC) from indole-3-acetic acid (IAA) via the intermediacy of 2-dimethylaminoethyl indole-3-acetate. Thus, treatment of indole-3-acetate with 1-dimethylamino-2 chloroethane, followed by methylation with methyl iodide, yields 55-70% recrystallized IAC from IAA. Using the same methodology, six analogues of IAC have been prepared in overall yields ranging from 40 to 60%.

  DOI：

  10.1016/0031-9422(95)00460-o

文献信息

• Improved process for the preparation of vinylcyclopropane derivatives
  申请人：NATIONAL DISTILLERS AND CHEMICAL CORPORATION

  公开号：EP0025846A1

  公开（公告）日：1981-04-01

  This invention provides a convenient and commercially adaptable process for the preparation of vinylcyclopropane derivatives in high yields. The process involves reacting an alkylating agent and an activated methylene compound in the presence of an onium compound, an alkali metal compound and water, which while only necessary in trace amounts can be present in substantial quantities.

  本发明提供了一种制备高产率乙烯基环丙烷衍生物的方便且具有商业适应性的工艺。该工艺包括在一种鎓化合物、一种碱金属化合物和水的存在下，使一种烷基化剂和一种活化亚甲基化合物发生反应。
• Process for the preparation of vinylcyclopropane derivatives
  申请人：NATIONAL DISTILLERS AND CHEMICAL CORPORATION

  公开号：EP0050762A1

  公开（公告）日：1982-05-05

  This invention provides a convenient and commercially adaptable process for the preparation of vinylcyclopropane derivatives in high yieid. For the process an alkylating agent and activated methylene compound are reacted in the presence of an alkylene oxide derivative and alkali metal compound. Water can also be present and/or the reaction may be carried out in an inert organic diiuent.

  本发明提供了一种制备乙烯基环丙烷高倍衍生物的方便且具有商业适应性的工艺。在该工艺中，烷基化剂和活化亚甲基化合物在环氧亚烷基衍生物和碱金属化合物的存在下进行反应。也可以加入水和/或在惰性有机助剂中进行反应。
• Rosnati; Bovet-Nitti, Rendiconti - Istituto superiore di sanita, 1955, vol. 18, p. 971,975
  作者：Rosnati、Bovet-Nitti

  DOI：——

  日期：——
• Rosnati; Bovet-Nitti, Rendiconti - Istituto superiore di sanita, 1955, vol. 18, p. 971,974
  作者：Rosnati、Bovet-Nitti

  DOI：——

  日期：——
• CSIBA, I.;DEVINSKY, F.;LACKO, I.;MLYNARCIK, D., CS. FARM., 1986, 35, N 2, 65-66
  作者：CSIBA, I.、DEVINSKY, F.、LACKO, I.、MLYNARCIK, D.

  DOI：——

  日期：——