1-methyl-3-oxabicyclo[3.2.0]heptane-2,4-dione | 64197-91-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• 英文名称: 1-methyl-3-oxabicyclo[3.2.0]heptane-2,4-dione
• 英文别名: 1-methylcyclobutane 1,2-dicarboxylic acid；1-methyl-cyclobutane-1,2-dicarboxylic acid anhydride；1-Methylcyclobutan-1,2-dicarbonsaeureanhydrid
• CAS: 64197-91-7
• 化学式: C₇H₈O₃
• 分子量: 140.139
• InChiKey: KBSGDNGZIDFXOQ-UHFFFAOYSA-N

物化性质

• 熔点：
  63 °C
• 沸点：
  259.2±9.0 °C(Predicted)
• 密度：
  1.347±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-methyl-3-oxabicyclo[3.2.0]heptane-2,4-dione 在 盐酸 、 sodium tetrahydroborate 作用下， 以 四氢呋喃 为溶剂， 生成 5-甲基-3-氧杂二环[3.2.0]庚烷-2-酮 、 1-methyl-3-oxabicyclo[3.2.0]heptan-2-one
  参考文献：
  名称：

  连接到应变环系统的不对称取代环酐的金属氢化物还原

  摘要：

  与连接到桥环系统（例如 1）的环状酸酐相比，在不对称环状酸酐（例如 2,3 和 4）的金属氢化物还原中观察到区域选择性的显着逆转。描述了连接到应变环的模型环酐的合成，并报告了用金属氢化物还原后获得的异构内酯的比率。在理论计算的基础上，并考虑到羰基的固有反应性、反周向效应和空间拥挤，对在这些化合物的还原中观察到的区域选择性进行了解释。

  DOI：

  10.1139/v82-178
• 作为产物：
  描述：

  1-Methyl-3-cyclobuten-1,2-dicarbonsaeure-anhydrid 以100%的产率得到
  参考文献：
  名称：

  SCHARF H.-D.; MATTAY J., J. LIEBIGS ANN. CHEM. , 1977, NO 5, 772-790

  摘要：

  DOI：

文献信息

• Finding the Perfect Match: A Combined Computational and Experimental Study toward Efficient and Scalable Photosensitized [2 + 2] Cycloadditions in Flow
  作者：Jason D. Williams、Momoe Nakano、Romaric Gérardy、Juan A. Rincón、Óscar de Frutos、Carlos Mateos、Jean-Christophe M. Monbaliu、C. Oliver Kappe

  DOI：10.1021/acs.oprd.8b00375

  日期：2019.1.18

  with a triplet sensitizer, we report the detailed exploration of [2 + 2] cycloadditions, in flow, of various maleic anhydride derivatives with gaseous ethylene. By the use of a flow reactor capable of gas handling and LED wavelength/power screening, an in-depth optimization of these reactions was carried out. In particular, we highlight the importance of matching the substrate and sensitizer triplet

  随着日新月异的发光二极管（LED）技术的发展，利用更高效和工业可行的光源可以进行经典的光化学转换。结合三重态敏化剂，我们报告了各种[2 + 2]环加成在气流中与气态乙烯的各种马来酸酐衍生物的详细研究。通过使用能够进行气体处理和LED波长/功率筛选的流动反应器，对这些反应进行了深入的优化。特别是，我们强调了将底物和敏化剂三重态能量与光源发射波长和功率相匹配的重要性。苯甲酮在375 nm处的吸光度差阻碍了马来酸酐的最初三重态敏化反应。然而，密度泛函理论（DFT）计算预测，诸如柠康酸酐等衍生物具有足够低的三重态能量，可以从噻吨酮进行三重态转移，后者的吸光度与375 nm处的LED发射相匹配。该观察结果在实验上是正确的，可以在大型反应器中进行优化和进一步例证，从而在10小时内处理了超过100 g的材料。这些简单的DFT计算也已应用于许多其他底物，并显示出与实验数据的良好相关性，这表明它们的使用可以
• Use of 1,2-dimethyl-3-fluoro-, 1-methyl-3,3-difluoro-, and
  申请人：Ciba-Geigy Corporation

  公开号：US04349564A1

  公开（公告）日：1982-09-14

  Cyclobutanecarboxylic acid imides of the formula I ##STR1## wherein one of R.sub.1 and R.sub.6 is hydrogen, methyl or ethyl, and the other is methyl or ethyl, R.sub.2 and R.sub.3 independently of one another are each hydrogen, fluorine or methyl, or R.sub.2 is acetoxy or chlorine while R.sub.3 is hydrogen, and wherein R.sub.4 is hydrogen, methyl or chlorine, and R.sub.5 is hydrogen or methyl, whereby R.sub.3 and R.sub.4 together can also form an additional bond in the four-membered ring, are suitable for combating various fungi and have a particularly excellent action against Botrytis. They can be produced in an especially advantageous manner by photochemical [2+2] cycloaddition of alkenes or alkynes with for example appropriately substituted maleic acid-(3,5-dichlorophenyl)imides.

  公式I中的环丁基羧酸亚胺如下：##STR1## 其中R.sub.1和R.sub.6中的一个为氢，甲基或乙基，另一个为甲基或乙基，R.sub.2和R.sub.3独立地为氢，氟或甲基，或者R.sub.2为乙酰氧或氯，而R.sub.3为氢，其中R.sub.4为氢，甲基或氯，而R.sub.5为氢或甲基，R.sub.3和R.sub.4也可以在四元环中形成额外的键，具有对抗各种真菌的能力，并且对灰霉菌的作用特别优秀。它们可以通过烯烃或炔烃与例如适当取代的马来酸-(3,5-二氯苯)亚胺的光化学[2+2]环加成特别有利地制备。
• Cyclobutanedicarboxylic acid imides, and compositions for their use as
  申请人：Ciba-Geigy Corporation

  公开号：US04361576A1

  公开（公告）日：1982-11-30

  Cyclobutanecarboxylic acid imides of the formula I ##STR1## wherein one of R.sub.1 and R.sub.6 is hydrogen, methyl or ethyl, and the other is methyl or ethyl, R.sub.2 and R.sub.3 independently of one another are each hydrogen, fluorine or methyl, or R.sub.2 is acetoxy or chlorine while R.sub.3 is hydrogen, and wherein R.sub.4 is hydrogen, methyl or chlorine, and R.sub.5 is hydrogen or methyl, whereby R.sub.3 and R.sub.4 together can also form an additional bond in the four-membered ring, are suitable for combating various fungi and have a particularly excellent action against Botrytis. They can be produced in an especially advantageous manner by photochemical [2+2] cycloaddition of alkenes or alkines with for example appropriately substituted maleic acid-(3,5-dichlorophenyl)-imides.

  公式I中的环丁基羧酸亚胺 其中R.sub.1和R.sub.6中的一个是氢，甲基或乙基，另一个是甲基或乙基，R.sub.2和R.sub.3相互独立地是氢，氟或甲基，或者R.sub.2是乙酰氧或氯，而R.sub.3是氢，其中R.sub.4是氢，甲基或氯，R.sub.5是氢或甲基，因此R.sub.3和R.sub.4也可以在四元环中形成额外的键。它们适用于对抗各种真菌，对灰霉菌的作用特别出色。它们可以通过烯烃或炔烃与适当取代的马来酸-(3,5-二氯苯基)-亚胺的光化学[2+2]环加成特别有利地生产。
• Liquid crystal display device
  申请人：JNC CORPORATION

  公开号：US10175538B2

  公开（公告）日：2019-01-08

  The subject is to shown a liquid crystal display device that has characteristics such as a short response time, a large voltage holding ratio, a low threshold voltage, a large contrast ratio, a long service life and a small flicker rate. The disclosure relates to a liquid crystal display device having an electrode group formed on one or both of a pair of substrates that are opposed to each other, and a plurality of active devices connected to the electrode group, and a liquid crystal alignment film formed on the opposing surfaces of the pair of substrates, and a liquid crystal composition sandwiched in between the pair of substrates, wherein the liquid crystal alignment film includes a polymer having a photodegradable group, and the liquid crystal composition includes at least one compound selected from the group consisting of compounds represented by formula (1) as a first component:

  本发明的目的是显示一种液晶显示装置，该装置具有响应时间短、电压保持比大、阈值电压低、对比度大、使用寿命长和闪烁率小等特点。本公开涉及一种液晶显示装置，该装置具有电极组，该电极组形成在一对相互对置的基板中的一个或两个上，以及与电极组连接的多个有源器件；液晶配向膜，该液晶配向膜形成在该对基板的对置表面上；液晶组合物，该液晶组合物夹在该对基板之间，其中，液晶配向膜包括具有光降解基团的聚合物，液晶组合物包括至少一种选自由式（1）表示的化合物组成的组中的化合物作为第一组分：
• LIQUID CRYSTAL DISPLAY DEVICE
  申请人：JNC CORPORATION

  公开号：US20170199432A1

  公开（公告）日：2017-07-13

  The subject is to shown a liquid crystal display device that has characteristics such as a short response time, a large voltage holding ratio, a low threshold voltage, a large contrast ratio, a long service life and a small flicker rate. The disclosure relates to a liquid crystal display device having an electrode group formed on one or both of a pair of substrates that are opposed to each other, and a plurality of active devices connected to the electrode group, and a liquid crystal alignment film formed on the opposing surfaces of the pair of substrates, and a liquid crystal composition sandwiched in between the pair of substrates, wherein the liquid crystal alignment film includes a polymer having a photodegradable group, and the liquid crystal composition includes at least one compound selected from the group consisting of compounds represented by formula (1) as a first component: