5,6-Dimethyl-[1,4]dioxane-2,3-dione | 89093-67-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二恶烷
• 英文名称: 5,6-Dimethyl-[1,4]dioxane-2,3-dione
• 英文别名: 1,4-Dioxane-2,3-dione, 5,6-dimethyl-；5,6-dimethyl-1,4-dioxane-2,3-dione
• CAS: 89093-67-4
• 化学式: C₆H₈O₄
• 分子量: 144.127
• InChiKey: VVOHLHIECXZSHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  草酰氯 、 2,2-di-n-Butyl-4,5-dimethyl-1,3,2-dioxastannole 反应 0.5h， 以36%的产率得到5,6-Dimethyl-[1,4]dioxane-2,3-dione
  参考文献：
  名称：

  1,3,2-二氧杂戊环戊烷与二酰氯的反应：与草酰氯的反应中的脱羰反应

  摘要：

  2,2-二丁基-1,3,2-二氧杂环戊烷与羰基氯反应生成相应的碳酸亚乙酯，并与丙二酰氯或琥珀酰氯反应生成低聚丙二酸酯或琥珀酸酯。然而，草酰氯的反应取决于环的碳原子所携带的甲基取代基的数目。没有任何一种，草酸乙烯酯基本上是唯一的产物，但是增加的甲基化会诱导一氧化碳的释放和碳酸亚乙酯的形成，直到有四个甲基取代基的只有频哪醇的碳酸盐，而没有草酸酯形成，这就是一个明显的例子。索普-英戈尔德效应的效果。讨论了该脱羰基的机理。

  DOI：

  10.1016/s0022-328x(00)99202-7

文献信息

• Formation of cyclic carbonates in the reactions of 1,2-glycols with oxalyl chloride.
  作者：Taisuke ITAYA、Takehiko IIDA、Hiromi EGUCHI

  DOI：10.1248/cpb.41.408

  日期：——

  Oxalyl chloride reacts with a wide range of 1, 2-glycols in the presence of triethylamine to produce 1, 3-dioxolan-2-ones together with 1, 4-dioxane-2, 3-diones; the ratio of the products largely depends on the structure of the 1, 2-glycol. The formation of the cyclic carbonates may be rationalized in terms of stereoelectronically controlled cleavage of the tetrahedral intermediates.

  草酰氯在三乙胺存在下与广泛的1, 2-二醇反应，生成1, 3-二恶烷-2-酮和1, 4-二恶烷-2, 3-二酮；产物的比例很大程度上取决于1, 2-二醇的结构。环状碳酸酯的形成可以用四面体中间体的手性电子控制断裂来合理化。
• METHOD FOR PRODUCING CYCLOMETALATED IRIDIUM COMPLEX
  申请人：NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY

  公开号：US20200181181A1

  公开（公告）日：2020-06-11

  The present invention provides a method for producing a cyclometalated iridium complex, the method including producing a cyclometalated iridium complex by reacting a cyclometalated iridium complex raw material including an organoiridium compound with an aromatic heterocyclic bidentate ligand capable of forming an iridium-carbon bond and an iridium-nitrogen bond, and using as the raw material an organoiridium compound including a substructure represented by the following General Formula (1). The present invention is capable of producing a cyclometalated iridium complex with a high yield without by-production of a halogen-crosslinked iridium dimer. (in General Formula (1), Ir represents an iridium atom, and O represents an oxygen atom).

  本发明提供了一种生产环金属铱配合物的方法，该方法包括通过将含有一种有机铱化合物的环金属铱配合物原料与一种能够形成铱-碳键和铱-氮键的芳香杂环双齿配体反应来生产环金属铱配合物，并且使用一种包括以下一般式（1）所表示的亚结构的有机铱化合物作为原料。本发明能够在不产生卤素交联铱二聚体的情况下高产率地生产环金属铱配合物。（在一般式（1）中，Ir代表铱原子，O代表氧原子）。
• Method for producing cyclometalated iridium complex
  申请人：NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY

  公开号：US11008352B2

  公开（公告）日：2021-05-18

  The present invention provides a method for producing a cyclometalated iridium complex, the method including producing a cyclometalated iridium complex by reacting a cyclometalated iridium complex raw material including an organoiridium compound with an aromatic heterocyclic bidentate ligand capable of forming an iridium-carbon bond and an iridium-nitrogen bond, and using as the raw material an organoiridium compound including a substructure represented by the following General Formula (1). The present invention is capable of producing a cyclometalated iridium complex with a high yield without by-production of a halogen-crosslinked iridium dimer. (in General Formula (1), Ir represents an iridium atom, and O represents an oxygen atom).

  本发明提供了一种生产环甲基化铱络合物的方法，该方法包括通过使包括有机铱化合物的环甲基化铱络合物原料与能够形成铱-碳键和铱-氮键的芳香杂环双齿配体反应来生产环甲基化铱络合物，并使用包括由以下通式(1)表示的亚结构的有机铱化合物作为原料。本发明能以高产率生产环甲基化铱配合物，而不会副产卤素交联铱二聚体。 (在通式（1）中，Ir 代表铱原子，O 代表氧原子）。
• DAVIES, A. G.;PAN, HUA-DE;HAWARI, J. A. -A., J. ORGANOMET. CHEM., 1983, 256, N 2, 251-260
  作者：DAVIES, A. G.、PAN, HUA-DE、HAWARI, J. A. -A.

  DOI：——

  日期：——
• SILICON-BASED ENERGY STORAGE DEVICES WITH ELECTROLYTE ADDITIVE COMPOUNDS
  申请人：Enevate Corporation

  公开号：US20200388880A1

  公开（公告）日：2020-12-10

  Electrolytes and electrolyte additives for energy storage devices are disclosed. The energy storage device comprises a first electrode and a second electrode, where one or both of the first electrode and the second electrode is a Si-based electrode, a separator between the first electrode and the second electrode, an electrolyte, and at least one electrolyte additive compound selected from a carbonate, oxalate, trioxidane, peroxide, peroxoate, dioxetanone, oxepane dione, oxetane dione, anhydride, oxalate or 1,4-dioxane-2,3-dione; each of which may be optionally substituted.