ethyl N,N-bis[(8-ethoxy-2-oxo-2H-1-benzopyran-3-yl)methyl]glycinate | 1481639-94-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ethyl N,N-bis[(8-ethoxy-2-oxo-2H-1-benzopyran-3-yl)methyl]glycinate
• 英文别名: Ethyl 2-[bis[(8-ethoxy-2-oxochromen-3-yl)methyl]amino]acetate；ethyl 2-[bis[(8-ethoxy-2-oxochromen-3-yl)methyl]amino]acetate
• CAS: 1481639-94-4
• 化学式: C₂₈H₂₉NO₈
• 分子量: 507.54
• InChiKey: ZZBZNSOBEKNVFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  37
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  tert-butyl 3-(3-ethoxy-2-hydroxyphenyl)-3-hydroxy-2-methylenenpropanoate 在 盐酸 、 1,8-双二甲氨基萘 作用下， 以 四氢呋喃 、 水 、 溶剂黄146 为溶剂， 反应 170.0h， 生成 ethyl N-[(8-ethoxy-2-oxo-2H-1-benzopyran-3-yl)methyl]glycinate 、 ethyl N,N-bis[(8-ethoxy-2-oxo-2H-1-benzopyran-3-yl)methyl]glycinate
  参考文献：
  名称：

  Evaluation of Baylis–Hillman Routes to 3-(Aminomethyl)coumarin Derivatives

  摘要：

  The relative merits of two different Baylis-Hillman approaches toward the preparation of coumarin derivatives, containing peptide-like side chains, have been explored. In one approach, use of methyl acrylate as the activated alkene requires a protecting group strategy, an approach that is not necessary when using tert-butyl acrylate. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) for the following free supplemental resource(s): Full experimental and spectral details.]

  DOI：

  10.1080/00397911.2013.803575

文献信息

• Evaluation of Baylis–Hillman Routes to 3-(Aminomethyl)coumarin Derivatives
  作者：Idris Olasupo、Nathan R. Rose、Rosalyn Klein、Luqman A. Adams、Oluwole B. Familoni、Perry T. Kaye

  DOI：10.1080/00397911.2013.803575

  日期：2014.1.17

  The relative merits of two different Baylis-Hillman approaches toward the preparation of coumarin derivatives, containing peptide-like side chains, have been explored. In one approach, use of methyl acrylate as the activated alkene requires a protecting group strategy, an approach that is not necessary when using tert-butyl acrylate. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) for the following free supplemental resource(s): Full experimental and spectral details.]