2-(hydroxy-phenylmethyl)-malonic acid di-tert-butyl ester | 1204142-47-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羟基酸及其衍生物
• 英文名称: 2-(hydroxy-phenylmethyl)-malonic acid di-tert-butyl ester
• CAS: 1204142-47-1
• 化学式: C₁₈H₂₆O₅
• 分子量: 322.401
• InChiKey: WORXAYXWXDKZJL-UHFFFAOYSA-N

物化性质

• 沸点：
  419.1±40.0 °C(Predicted)
• 密度：
  1.100±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.02
• 重原子数：
  23.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  72.83
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2-(hydroxy-phenylmethyl)-malonic acid di-tert-butyl ester 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 生成 丙二酸二叔丁酯 、 苯甲醛
  参考文献：
  名称：

  Synthesis of β-hydroxymalonates: the direct aldol addition of malonates to aldehydes in the presence of SiCl4 and i-Pr2EtN

  摘要：

  The direct aldol addition of malonates to aromatic, hetero-aromatic and unsaturated aldehydes leading to beta-hydroxymalonates is described. The stability of these products, the trimethyl silyl protection of the hydroxyl group as well as the role of both SiCl4 and i-Pr2EtN in attaining the final products are also discussed. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.10.057
• 作为产物：
  描述：

  在 碳酸氢钠 作用下， 以 二氯甲烷 、 水 为溶剂， 生成 2-(hydroxy-phenylmethyl)-malonic acid di-tert-butyl ester
  参考文献：
  名称：

  Synthesis of β-hydroxymalonates: the direct aldol addition of malonates to aldehydes in the presence of SiCl4 and i-Pr2EtN

  摘要：

  The direct aldol addition of malonates to aromatic, hetero-aromatic and unsaturated aldehydes leading to beta-hydroxymalonates is described. The stability of these products, the trimethyl silyl protection of the hydroxyl group as well as the role of both SiCl4 and i-Pr2EtN in attaining the final products are also discussed. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.10.057