2-Methyl-2-(2.5-dioxo-3.3-dimethyl-cyclopentyl)-propionsaeure-methylester | 4683-52-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-Methyl-2-(2.5-dioxo-3.3-dimethyl-cyclopentyl)-propionsaeure-methylester
• 英文别名: 2-(3,3-dimethyl-2,5-dioxo-cyclopentyl)-2-methyl-propionic acid methyl ester；2-(3,3-Dimethyl-2,5-dioxo-cyclopentyl)-2-methyl-propionsaeure-methylester；1.1-Dimethyl-cyclopentandion-(2.4)-(α-isobuttersaeure)-(3)-methylester
• CAS: 4683-52-7
• 化学式: C₁₂H₁₈O₄
• 分子量: 226.273
• InChiKey: FRXIURXXJVJULG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.37
• 重原子数：
  16.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  60.44
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-Methyl-2-(2.5-dioxo-3.3-dimethyl-cyclopentyl)-propionsaeure-methylester 、 碘甲烷 在 sodium methylate 、 potassium acetate 作用下， 生成 2-(2-methoxy-4,4-dimethyl-5-oxo-cyclopent-1-enyl)-2-methyl-propionic acid methyl ester
  参考文献：
  名称：

  Eskola et al., Suomen Kemistilehti B, 1957, vol. 30, p. 24,27

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 sodium methylate 作用下， 生成 2-Methyl-2-(2.5-dioxo-3.3-dimethyl-cyclopentyl)-propionsaeure-methylester
  参考文献：
  名称：

  Performance assessment of O-18 water purifier

  摘要：

  In the synthesis of F-18-FDG by the nucleophilic substitution method,O-18-H2O is usually used as target water. The target water should be recovered after synthesis and reused, because it is expensive, but recovered water contains impurities such as organic substances, and it must be purified before reuse. For this reason Sumitomo Heavy Industries, Ltd. developed an O-18 water purifier for elimination of organic substances in recovered water. This instrument consists of a UV irradiation unit and low-temperature distillation unit. Our institution had an opportunity to test use this instrument and evaluated its performance. The concentrations of organic substances after UV irradiation was greatly reduced, and recovery efficiency after distillation by the low-temperature distillation unit was very satisfactory at 99.3 +/- 0.5%. Furthermore, the yield of F-18-FDG from O-18-H2O purified with this instrument was sufficient for the clinical use.

  DOI：

  10.1007/bf03012137

文献信息

• Toivonen, Annales Academiae Scientiarum Fennicae, Series A, vol. 28, # 11, p. 9
  作者：Toivonen

  DOI：——

  日期：——