4-(2,2-Dimethyl-4,6-dioxo-[1,3]dioxan-5-ylidene)-4-hydroxy-butyric acid methyl ester | 66696-85-3

• 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: 4-(2,2-Dimethyl-4,6-dioxo-[1,3]dioxan-5-ylidene)-4-hydroxy-butyric acid methyl ester
• 英文别名: Methyl 4-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-4-hydroxybutanoate；methyl 4-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-4-hydroxybutanoate
• CAS: 66696-85-3
• 化学式: C₁₁H₁₄O₇
• 分子量: 258.228
• InChiKey: CPGREXQYYIBRKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  99.1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-(2,2-Dimethyl-4,6-dioxo-[1,3]dioxan-5-ylidene)-4-hydroxy-butyric acid methyl ester 以 甲苯 、 乙腈 为溶剂， 反应 2.5h， 生成 2-<2-(methoxycarbonyl)ethyl>indole
  参考文献：
  名称：

  Mohri, Kunihiko; Oikawa, Yuji; Hirao, Ken-ichi, Chemical and pharmaceutical bulletin, 1982, vol. 30, # 9, p. 3097 - 3105

  摘要：

  DOI：
• 作为产物：
  描述：

  丙二酸环(亚)异丙酯 、 丁二酸单甲酯酰氯 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 生成 4-(2,2-Dimethyl-4,6-dioxo-[1,3]dioxan-5-ylidene)-4-hydroxy-butyric acid methyl ester
  参考文献：
  名称：

  SOLID-PHASE SYNTHESIS OF POLYMER-BOUND β-KETOESTERS AND THEIR APPLICATION IN THE SYNTHESIS OF STRUCTURALLY DIVERSE PYRAZOLONES

  摘要：

  An efficient solid-phase synthesis of different polymer-bound beta-ketoesters 7 is described using readily available acid chlorides I and haloalkanes 6 as building blocks. The corresponding pyrazolones 9 and 10 were obtained by mild acid catalyzed reaction with phenylhydrazine or by treatment with hydrazine under cyclisation and cleavage from the resin in high purity and good yield. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00209-6

文献信息

• Solid Phase Synthesis of 3-Acyltetramic Acids
  作者：Lutz Weber、Patrick Iaiza、Gérard Biringer、Pierre Barbier

  DOI：10.1055/s-1998-1862

  日期：1998.10

  We report a solid-phase synthesis of 3-acyltetramic acids that are components of naturally occurring antibiotics. The products were obtained in satisfactory purity by a novel cyclization-cleavage strategy via a Dieckmann condensation.

  我们报告了 3-酰基四酸的固相合成，3-酰基四酸是天然抗生素的成分。通过迪克曼缩合的新型环化-裂解策略获得了令人满意的纯度的产物。
• Solid‐Phase Synthesis of Substituted Pyrazolones from Polymer‐Bound β‐Keto Esters
  作者：Lutz F. Tietze、Holger Evers、Thomas Hippe、Adrian Steinmetz、Enno Töpken

  DOI：10.1002/1099-0690(200105)2001:9<1631::aid-ejoc1631>3.0.co;2-#

  日期：2001.5