3-methylbutane-1,2,3-tricarboxylic acid | 77370-41-3

• 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: 3-methylbutane-1,2,3-tricarboxylic acid
• 英文别名: 3-methyl-1,2,3-butanetricarboxylic acid；3-methyl-butane-1,2,3-tricarboxylic acid；3-Methyl-butan-1,2,3-tricarbonsaeure；γ-Methyl-butan-α.β.γ-tricarbonsaeure；α.α'-Dimethyl-α-carboxy-glutarsaeure；2.2-Dimethyl-3-methylsaeure-pentandisaeure；3-Methylbutane-1,2,3-tricarboxylic Acid
• CAS: 77370-41-3
• 化学式: C₈H₁₂O₆
• 分子量: 204.18
• InChiKey: VMWJGTKDJFMTFZ-UHFFFAOYSA-N

物化性质

• 溶解度：
  DMSO（微溶）、甲醇（微溶、超声处理）

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 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：

  3-methylbutane-1,2,3-tricarboxylic acid 在 溴 、 三溴化磷 作用下， 生成 4,4-dimethyl-5-oxo-tetrahydro-furan-2,3-dicarboxylic acid
  参考文献：
  名称：

  Baeyer, Chemische Berichte, 1896, vol. 29, p. 2789

  摘要：

  DOI：
• 作为产物：
  描述：

  葑酮 在 硝酸 作用下， 生成 3-methylbutane-1,2,3-tricarboxylic acid
  参考文献：
  名称：

  第六十六章—对萜类的研究。三，Fenchone的卤素衍生物及其反应

  摘要：

  DOI：

  10.1039/ct8987300704

文献信息

• Glass-Forming Properties of 3-Methylbutane-1,2,3-tricarboxylic Acid and Its Mixtures with Water and Pinonic Acid
  作者：Hans P. Dette、Mian Qi、David C. Schröder、Adelheid Godt、Thomas Koop

  DOI：10.1021/jp505910w

  日期：2014.8.28

  Moreover, we have determined the glass transition Tg′ of the maximal freeze-concentrated aqueous solution of 3-MBTCA, and Tg of mixtures of 3-MBTCA with water and pinonic acid. The latter data indicate a dependence of Tg upon the atomic oxygen-to-carbon ratio of the mixture, with implications for parametrizing the glass-forming behavior of α-pinene SOA particles in the atmosphere.

  3-甲基丁烷-1,2,3-三羧酸（3-MBTCA）是一种α-pine烯的大气氧化产物，已被确定为与大气萜烯二次有机气溶胶（SOA）颗粒最相关的示踪化合物。然而，对其诸如水的溶解度和相态（例如，液体，结晶，玻璃态）的理化性质知之甚少。为了获得知识，我们通过迈克尔加成反应，从2-甲基丙酸甲酯和马来酸二甲酯合成了3-MBCTA，随后进行了水解，总收率为78％。发现3-MBTCA在T m = 426±1 K熔化时转化为酸酐，从而妨碍了玻璃化转变温度T g的确定。通过差示扫描量热法（DSC）通过熔化和随后的冷却来实现。因此，我们设计了一种新颖的技术MARBLES（通过溶剂的低温蒸发而产生可降解的气溶胶），无需加热即可将物质转移至玻璃态。在MARBLES中，水溶液被雾化成湿的气溶胶颗粒，随后在数个扩散干燥器中干燥，从而形成玻璃杯中残留的几种溶质颗粒。将玻璃状气溶胶颗粒收集在撞击器中，直到积累了足够的质量，可以通过DSC确定样品的T
• Chatterjee, Journal of the Indian Chemical Society, 1937, vol. 14, p. 127,132
  作者：Chatterjee

  DOI：——

  日期：——
• The Potential Influence of Climate Change on Offshore Primary Production in Lake Michigan
  作者：Arthur S. Brooks、John C. Zastrow

  DOI：10.1016/s0380-1330(02)70608-4

  日期：2002.1

  This paper examines the potential influence of climate change on the primary productivity of Lake Michigan. Two general circulation models (GCMs) provided physical information on projected regional climate for the years 2030, 2050, and 2090. A 30-year record of meteorological data and limnological observations, from 1961 to through,1990, was used to define present, baseline conditions for the lake. GCM output was used to develop scenarios of future thermal characteristics, mixing patterns, and surface irradiance, which were then used to drive primary production calculations. Mean annual primary production for the base period was 116 g C/m(2). Under base conditions thermal stratification of the lake occurred on 13 June and extended 135 days until 26 October. Conditions projected for 2090 showed the mean date of stratification beginning as early as 5 April and remaining for 225 days until 20 November. Estimated mean annual primary production under these conditions totaled 113 g C/m(2), a decrease of 3% from the mean base value. Under the most extreme conditions of maximum projected cloud cover for 2090, primary production in that year could fall to 101 g C/m(2), a decrease of 13% from the base mean, or down 22% from maximum base production calculated under minimum base cloud cover conditions. The projected decrease may be attributed to physical/chemical constraints imposed on spring primary production by altered climate conditions. Early stratification would shorten the period of winter-spring mixing, during which time nutrients from the sediment are transported to the productive euphotic zone. The spring bloom was projected to diminish if early stratification capped the nutrient supply, and increased cloud cover reduced light input for photosynthesis. To a lesser extent fall production could also be reduced by the extension of the stratified period. Altered physical/chemical conditions influenced by a changing climate will be an important factor to consider in assessing future water quality conditions, primary production and the food web dynamics of the Great Lakes.
• Tiemann; Kerschbaum, Chemische Berichte, 1900, vol. 33, p. 2938
  作者：Tiemann、Kerschbaum

  DOI：——

  日期：——
• Treibs, Chemische Berichte, 1935, vol. 68, p. 1041
  作者：Treibs

  DOI：——

  日期：——