pantolactone p-nitrobenzoate | 134734-33-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: pantolactone p-nitrobenzoate
• 英文别名: O-(4-nitro-benzoyl)-DL-pantolactone；O-(4-Nitro-benzoyl)-DL-pantolacton；4,4-Dimethyl-2-oxotetrahydro-3-furanyl 4-nitrobenzoate；(4,4-dimethyl-2-oxooxolan-3-yl) 4-nitrobenzoate
• CAS: 134734-33-1
• 化学式: C₁₃H₁₃NO₆
• 分子量: 279.249
• InChiKey: MKJHFKPUKIGUQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  98.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  pantolactone p-nitrobenzoate 在 lithium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 反应 0.17h， 以90%的产率得到DL-泛酰内酯
  参考文献：
  名称：

  （±）-泛内酯和（±）-二氢-4-乙基-3-羟基-4-甲基-2（3 H）-呋喃酮的合成

  摘要：

  通过Birch还原法由3-糠酸合成标题化合物。

  DOI：

  10.1002/jhet.5570280315
• 作为产物：
  描述：

  甲基3-甲基-2,3-二氢-3-呋喃羧酸酯 在 吡啶 、 lithium aluminium tetrahydride 、 三氟化硼乙醚 、 间氯过氧苯甲酸 作用下， 以 四氢呋喃 、 乙醚 、 二氯甲烷 为溶剂， 反应 12.0h， 生成 pantolactone p-nitrobenzoate
  参考文献：
  名称：

  （±）-泛内酯和（±）-二氢-4-乙基-3-羟基-4-甲基-2（3 H）-呋喃酮的合成

  摘要：

  通过Birch还原法由3-糠酸合成标题化合物。

  DOI：

  10.1002/jhet.5570280315

文献信息

• Pantothenic Acid. VI. The Isolation and Structure of the Lactone Moiety
  作者：Eric T. Stiller、John C. Keresztesy、Jacob Finkelstein

  DOI：10.1021/ja01864a037

  日期：1940.7
• Soil redox, pH, temperature, and water-table patterns of a freshwater tidal wetland
  作者：Cathy A. Seybold、Wondi Mersie、Jayie Huang、Clyde McNamee

  DOI：10.1672/0277-5212(2002)022[0149:srptaw]2.0.co;2

  日期：2002.3

  Knowledge of wetland hydrology, soil redox potential, pH, and temperature dynamics are key components required to understand the capacity of tidal wetlands to function, in particular to attenuate agrichemicals. In a freshwater tidal wetland along the James River in Virginia, USA, redox potential, pH, water-table level, and soil temperature were monitored continuously at two depths (20 and 50 cm) at three sites during a 12-month period from September 1, 1997 to August 31. 1998. Redox potentials were at or below - 150 mV (methanogenic or sulfate reducing conditions) at the 50-cm depth during the entire monitoring period. At the 20-cm depth. redox potentials remained highly reducing 95% of the time. The soil is continuously wet throughout the year, with the water-table level above the 20-cm soil depth for 95% of the time. Water-table level or hydrology was the primary factor controlling fluctuations in the redox state. Soil pH values were generally between 6 and 8, and they dropped I pH unit upon an oxidation event. which was reversible. Soil temperature at the 50-cm depth never dropped below 5degrees C, indicating a year-round biological activity season. This wetland supports a large diversity of plant species. Permanently reduced sub-surfaces, year-round biological activity, and large organic matter accumulations are characteristic features of this freshwater tidal wetland.
• Synthesis of (±)-pantolactone and (±)-dihydro-4-ethyl-3-hydroxy-4-methyl-2(3<i>H</i>)-furanone
  作者：Takamasa Kinoshita、Madoka Hirano、Hiroyuki Miyake

  DOI：10.1002/jhet.5570280315

  日期：1991.4

  The title compounds were synthesized from 3-furoic acid via the Birch reduction.

  通过Birch还原法由3-糠酸合成标题化合物。