2-formyl-5,5 dimethylthiazolidine-4-carboxylic acid | 1148032-39-6

• 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: 2-formyl-5,5 dimethylthiazolidine-4-carboxylic acid
• 英文别名: 2-formyl-5,5-dimethylthiazolidine-4-carboxylic acid；(2R,4S)-2-formyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
• CAS: 1148032-39-6
• 化学式: C₇H₁₁NO₃S
• 分子量: 189.235
• InChiKey: ZWIDNKPIDJFBEN-UHNVWZDZSA-N

物化性质

• 沸点：
  377.7±42.0 °C(predicted)
• 密度：
  1.337±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.08
• 重原子数：
  12.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  66.4
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  6-氨基青霉烷酸 在 ruthenium trichloride 、 potassium metaperiodate 、 potassium nitrate 、 potassium hydroxide 作用下， 以 水 为溶剂， 反应 6.0h， 生成 2-formyl-5,5 dimethylthiazolidine-4-carboxylic acid
  参考文献：
  名称：

  Oxidation of 6-aminopenicillanic acid by an alkaline copper(III) periodate complex in the absence and presence of ruthenium(III) as a homogeneous catalyst

  摘要：

  The oxidation of 6-aminopenicillanic acid (6-APA) by diperiodatocuprate(III) (DPC) has been investigated both in the absence and presence of a ruthenium(III) catalyst in aqueous alkaline medium, at a constant ionic strength of 0.20 mol dm(-3), spectrophotometrically. The stiochiometry was the same in both cases, i.e. [6-APA]/[DPC] = 1:2. In both the catalyzed and uncatalyzed reactions, the order of the reaction with respect to [DPC] was unity, while the order with respect to [6-APA] was <1 over the concentration range studied. The rate increased with an increase in [OH-] and decreased with an increase in [IO4-] in both cases. The order with respect to [Ru(III)] was unity. The oxidation products were identified by spectral analysis and suitable mechanisms were proposed. The reaction constants involved in the different steps of the reaction mechanisms were calculated for both cases. The catalytic constant (K-C) was also calculated for the catalyzed reaction at different temperatures. The activation parameters with respect to the slow step of the mechanism and also the thermodynamic quantities were determined. Kinetic experiments suggest that [Cu(H2IO6)(H2O)(2)] is the reactive copper(III) species and [Ru(H2O)(5)OH](2+) is the reactive Ru(III) species. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.04.025

文献信息

• Gunagi; Nandibewoor; Chimatadar, Journal of the Indian Chemical Society, 2011, vol. 88, # 9, p. 1339 - 1348
  作者：Gunagi、Nandibewoor、Chimatadar

  DOI：——

  日期：——