丁烷-1,3,3-三羧酸 | 89898-62-4

• 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
• 中文名称: 丁烷-1,3,3-三羧酸
• 英文名称: butane-1,3,3-tricarboxylic acid
• 英文别名: Butan-1,3,3-tricarbonsaeure；Butan-tricarbonsaeure-(1.3.3)；1-Methylpropane-1,1,3-tricarboxylic acid
• CAS: 89898-62-4
• 化学式: C₇H₁₀O₆
• 分子量: 190.153
• InChiKey: DCZHLSUPIRYYMN-UHFFFAOYSA-N

物化性质

• 熔点：
  133-134 °C (decomp)
• 沸点：
  384.6±27.0 °C(Predicted)
• 密度：
  1.485±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  112
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  丁烷-1,3,3-三羧酸 生成 2-甲基戊二酸
  参考文献：
  名称：

  药物代谢。二十九。甲丙酸酯的代谢命运。2.对代谢物结构的进一步研究。

  摘要：

  从掺入甲丙氨酯（2-甲基-2-正丙基-1，3-丙二醇二甲酸酯）的兔子和狗的尿液中分离出的三种代谢物的结构被确定为酮-甲丙氨酯[2-甲基-2-(2-氧代丙基)-1，3-丙二醇二甲酸酯]、羟基-甲丙氨酯[2-甲基-2-(2-羟基丙基)-1，3-丙二醇二甲酸酯]、3-丙二醇二氨基甲酸酯]、羟基-甲氨基甲酸酯[2-甲基-2-(2-羟基丙基)-1, 3-丙二醇二氨基甲酸酯]和羧基-甲氨基甲酸酯[2-甲基-2-(2-羧乙基)-1, 3-丙二醇二氨基甲酸酯]。

  DOI：

  10.1248/cpb.10.540
• 作为产物：
  描述：

  2-acetyl-2-methyl-glutaric acid diethyl ester 在 alkaline KMNO₄ 作用下， 生成 丁烷-1,3,3-三羧酸
  参考文献：
  名称：

  Karrer et al., Helvetica Chimica Acta, 1930, vol. 13, p. 1094,1097

  摘要：

  DOI：

文献信息

• A physician workforce planning model applied to Canadian anesthesiology: assessment of needs
  作者：Robert J. Byrick、Douglas Craig、Franco Carli

  DOI：10.1007/bf03017442

  日期：2002.8

  Purpose: A human resource planning model for anesthesiology is described.Methods: The model uses 'per capita' expenditure for anesthesiologists in Quebec, as a measure of clinical services provided to different age/gender groups. The future demand for anesthesia services is calculated as the product of 'per capita' expenditure and the population projections to a future date. Future demand was converted into full-time equivalent (FTE) providers required, by dividing by the annual 'units of service' optimally delivered by one FTE anesthesiologist. The pattern of age/gender (demographic) consumption of anesthesia services in Quebec was compared with data from Ontario to validate its use in a planning model. The model was then applied to all provinces and territories.Results: The 'per capita' expenditures on anesthesia services in Quebec and Ontario showed a regular pattern. Using the model, the estimated 1999 demand for FTE anesthesiologists to provide clinical services in Quebec is 546 and 669 for 2016. When non-clinical demands were included, we estimated that Quebec's total demand will increase to approximately 730 FTEs in 2016. Similar estimates are made for all provinces. The population increase anticipated is 17.9% but the increase in FFE demand in Canada is 30.9%.Conclusion: The model showed that the cause of the increased FTE demand for anesthesiologists is a combination of increased population and its demographic composition. The relative impact of each of these factors varies in different provinces. Effective specialty-specific planning models can be designed but they need ongoing committed resources and personnel for their usefulness to be maximized.
• Swan, Journal of the Chemical Society, 1955, p. 1039
  作者：Swan

  DOI：——

  日期：——
• Karrer et al., Helvetica Chimica Acta, 1930, vol. 13, p. 1094,1097
  作者：Karrer et al.

  DOI：——

  日期：——
• Metabolism of Drugs. XXIX. Metabolic Fate of Meprobamate.(2). Further Studies on the Structure of the Metabolites
  作者：Akira Yamamoto、Hidetoshi Yoshimura、Hisao Tsukamoto

  DOI：10.1248/cpb.10.540

  日期：——

  The structures of three metabolites isolated from the urine of rabbits and dogs admintstered with meprobamate (2-methyl-2-n-propyl-1, 3-propanediol dicarbamate) were established as keto-meprobamate [2-methyl-2-(2-oxo-propyl)-1, 3-propanediol dicarbamate], hydroxy-meprobamate [2-methyl-2-(2-hydroxypropyl)-1, 3-propanediol dicarbamate] and carboxy-meprobamate [2-methyl-2-(2-carboxyethyl)-1, 3-propanedioi dicarbamate].

  从掺入甲丙氨酯（2-甲基-2-正丙基-1，3-丙二醇二甲酸酯）的兔子和狗的尿液中分离出的三种代谢物的结构被确定为酮-甲丙氨酯[2-甲基-2-(2-氧代丙基)-1，3-丙二醇二甲酸酯]、羟基-甲丙氨酯[2-甲基-2-(2-羟基丙基)-1，3-丙二醇二甲酸酯]、3-丙二醇二氨基甲酸酯]、羟基-甲氨基甲酸酯[2-甲基-2-(2-羟基丙基)-1, 3-丙二醇二氨基甲酸酯]和羧基-甲氨基甲酸酯[2-甲基-2-(2-羧乙基)-1, 3-丙二醇二氨基甲酸酯]。