norpinalic acid | 4426-12-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: norpinalic acid
• 英文别名: 2,2-Dimethyl-3-formyl-cyclobutyl-methanoic acid；3-formyl-2,2-dimethylcyclobutane-1-carboxylic acid
• CAS: 4426-12-4
• 化学式: C₈H₁₂O₃
• 分子量: 156.181
• InChiKey: MQTHUXQLMJSVGN-UHFFFAOYSA-N

物化性质

• 沸点：
  267.4±33.0 °C(Predicted)
• 密度：
  1.218±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  norpinalic acid 生成 cis-norpinic acid
  参考文献：
  名称：

  GAUTAM R. K.; KANNAN S.; SAHARIA G. S., J. INDIAN CHEM. SOC., 63,(1986) N 3, 311-314

  摘要：

  DOI：
• 作为产物：
  描述：

  (3-carboxy-2,2-dimethyl-cyclobutyl)-hydroxy-acetic acid 生成 norpinalic acid
  参考文献：
  名称：

  GAUTAM R. K.; KANNAN S.; SAHARIA G. S., J. INDIAN CHEM. SOC., 63,(1986) N 3, 311-314

  摘要：

  DOI：

文献信息

• Multifunctional acid formation from the gas-phase ozonolysis of β-pinene
  作者：Yan Ma、George Marston

  DOI：10.1039/b807863g

  日期：——

  The gas-phase ozonolysis of beta-pinene was studied in static chamber experiments, using gas chromatography coupled to mass spectrometric and flame ionisation detection to separate and detect products. A range of multifunctional organic acids-including pinic acid, norpinic acid, pinalic-3-acid, pinalic-4-acid, norpinalic acid and OH-pinalic acid-were identified in the condensed phase after derivatisation

  在静态室实验中研究了beta- static烯的气相臭氧分解，方法是使用气相色谱法结合质谱和火焰离子化检测来分离和检测产物。在衍生化后的缩合相中鉴定出了一系列多功能有机酸，包括松酸，正松酸，3品灵酸，4品灵酸，1品灵酸和OH-草酸。研究了这些产物在系统变化的反应条件下（通过添加不同的OH自由基清除剂和Criegee中间清除剂）的形成产率，并将其与从α-pine烯臭氧分解中观察到的产率进行比较，从而可以阐明有关产物形成机理的详细信息。此外，从伯羰基形成的定量测量可以推断出反应初始步骤的支化比。讨论了这项工作的大气意义。
• Mechanisms for the formation of secondary organic aerosol components from the gas-phase ozonolysis of α-pinene
  作者：Yan Ma、Andrew T. Russell、George Marston

  DOI：10.1039/b803283a

  日期：——

  added Criegee intermediate scavengers, NO(2)etc.) was investigated to probe the mechanisms of formation of these products; additional information was obtained by studying the ozonolysis of an enal and an enone derived from alpha-pinene. On the basis of experimental findings, previously suggested mechanisms were evaluated and detailed gas-phase mechanisms were developed to explain the observed product formation

  在“无OH”条件下的静态室实验中研究了α-pine烯的气相臭氧分解。在衍生化之后，使用与质谱联用的气相色谱法在冷凝相中鉴定了一系列多功能产物，特别是低挥发性的羧酸。研究了产物收率对反应条件（湿度，OH自由基清除剂的选择，添加的Criegee中间清除剂，NO（2）等）的依赖性，以探讨这些产物的形成机理。通过研究烯类和衍生自α-an烯的烯酮的臭氧分解获得了更多信息。根据实验结果，对先前提出的机理进行了评估，并开发了详细的气相机理来解释观察到的产物形成。
• Identification of Products Containing −COOH, −OH, and −CO in Atmospheric Oxidation of Hydrocarbons
  作者：Jianzhen Yu、Richard C. Flagan、John H. Seinfeld

  DOI：10.1021/es980129x

  日期：1998.8.1

  Atmospheric oxidation of hydrocarbons by hydroxyl radicals and ozone leads to products containing -COOH, -OH, and -C=O functional groups. The high polarity of such compounds precludes direct GC-MS analysis. In addition, many such compounds often exist in a single sample at trace levels. An analytical method has been developed to identify compounds containing one or more functional groups of carbonyl, carboxy, and hydroxy in atmospheric samples. In the method, -C=O groups are derivatized using 0-(2,3,4,5,6-pentafluorobenzyl) hydroxy amine (PFBHA), and -COOH and -OH groups are derivatized using a silylation reagent N,O-bis(trimethylsilyl)trifluoro-acetamide (BSTFA). The derivatives are easily resolved by a GC column. The chemical ionization mass spectra of these derivatives exhibit several pseudomolecular ions, allowing unambiguous determination of molecular weights. Functional group identification is accomplished by monitoring the ions in the electron ionization mass spectra that are characteristic of each functional group derivative: m/z 181 for carbonyl and m/z 73 and 75 for carboxyl and hydroxy groups. The method is used to identify products in laboratory studies of ozone oxidation of alpha-pinene and Delta(3)-carene. Among products from ozone oxidation of alpha-pinene, we have detected pinonaldehyde, norpinonaldehyde , pinonic acid, norpinonic acid, C-10 hydroxy dicarbonyls, pinic acid, 2,2-dimethyl-3-(formylmethyl)-cyclobutane-formic acid, and a product that has a molecular weight of 156 and contains a C=O and a COOH/OH group. The latter two products have not been reported previously. Delta(3)-carene is structurally analogous to alpha-pinene in that both have an internal unsaturated bond where ozone oxidation takes place. We have also identified the corresponding analogous products, of which all but caronaldehyde are reported for the first time.
• GAUTAM R. K.; KANNAN S.; SAHARIA G. S., J. INDIAN CHEM. SOC., 63,(1986) N 3, 311-314
  作者：GAUTAM R. K.、 KANNAN S.、 SAHARIA G. S.

  DOI：——

  日期：——