dimethyl chelidonate | 6558-96-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃
• 英文名称: dimethyl chelidonate
• 英文别名: dimethyl 4-oxo-4H-pyran-2,6-dicarboxylate；2,6-Dicarbomethoxy-4-pyron；Dimethyl-4-oxo-4H-pyran-2,6-dicarboxylat；Chelidonsaeure-dimethylester；4-oxo-4H-pyran-2,6-dicarboxylic acid dimethyl ester；4-Oxo-4H-pyran-2,6-dicarbonsaeure-dimethylester；2,6-dicarbomethoxy-4-pyrone；dimethyl 4-oxopyran-2,6-dicarboxylate
• CAS: 6558-96-9
• 化学式: C₉H₈O₆
• 分子量: 212.159
• InChiKey: BHSUHVSNJNGPPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  dimethyl chelidonate 在 甲醇 、 镍 作用下， 生成 4-oxo-tetrahydro-pyran-2,6-dicarboxylic acid dimethyl ester
  参考文献：
  名称：

  Attenburrow et al., Journal of the Chemical Society, 1945, p. 571,574

  摘要：

  DOI：
• 作为产物：
  描述：

  在 盐酸 作用下， 以 甲醇 为溶剂， 反应 0.67h， 以85%的产率得到dimethyl chelidonate
  参考文献：
  名称：

  New series of ɣ-pyrone based Podands: synthesis, characterization and study of their application in acetate salts cation trapping in nucleophilic substituted reactions

  摘要：

  Dialkyl 4-oxo-4H-pyran-2,6-dicarboxylates are synthesized via esterification of chelidonic acid or via intramolecular cyclization of dialkyl-2,4,6-trioxoheptanedioates. Reaction of the dialkyl 4-oxo-4H-pyran-2,6-dicarboxylates with a variety of glycol monoalkyl ethers produces a series of new podands in good yields. To demonstrate the use of these podands in cation trapping, nucleophilic substitution reactions are carried out with various acetate salts. The results indicate that the cation diameter's compatibility with binding site leads to the best yield of reaction.[GRAPHICS].

  DOI：

  10.24820/ark.5550190.p010.827

文献信息

• CHARGE CONTROL AGENT AND RELATED ART
  申请人：Kuroda Kazuyoshi

  公开号：US20090053641A1

  公开（公告）日：2009-02-26

  [PROBLEMS] Providing a charge control agent that has a negative charge providing property at a practical level, is colorless to light-colored and usable in color toners, produces static charges stable to environmental changes by electrifying the resin powder of a toner and the like, is excellent in storage stability and durability, and is highly safe, as well as a method of controlling the charge of resin powder using the charge control agent, and a toner. [MEANS OF SOLVING THE PROBLEMS] A charge control agent having a compound represented by the formula shown below as the active ingredient, as well as a method of controlling the charge of resin powder using the charge control agent, and a toner. X: an oxygen atom or N—H; Each of R 1 to R 4 : a hydrogen atom, a carboxyl group, an aminocarbonyl group having or not having a substituent, an aminocarbonylmethyl group having or not having a substituent, an alkoxycarbonyl group, an alkyl group, a phenyl group having a substituent or not having a substituent, or a group that forms a saturated or unsaturated ring having or not having a substituent in cooperation with any other group selected from among R 1 to R 4 .

  [问题] 提供一种在实际水平上具有负电荷提供特性的充电控制剂，无色至浅色并可用于彩色调色剂，通过电化树脂粉末等产生稳定的静电荷，具有优异的储存稳定性和耐久性，并且非常安全，以及使用该充电控制剂控制树脂粉末电荷的方法和调色剂。 [解决问题的方法] 提供一种具有以下公式所示化合物作为活性成分的充电控制剂，以及使用该充电控制剂控制树脂粉末电荷的方法和调色剂。 X：氧原子或N-H； R1至R4中的每一个：氢原子，羧基，具有或不具有取代基的氨基羰基，具有或不具有取代基的氨基羰基甲基，烷氧羰基，烷基，具有或不具有取代基的苯基，或与R1至R4中选择的任何其他基团相互配合形成饱和或不饱和环的基团。
• Ashok, D.; Sarma, P. N., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1988, vol. 27, # 9, p. 862
  作者：Ashok, D.、Sarma, P. N.

  DOI：——

  日期：——
• KAPPLER D.; ROSENMUND P., CHEM. BER. <CHBE-AM>, 1976, 109, NO 10, 3486-3488
  作者：KAPPLER D.、 ROSENMUND P.

  DOI：——

  日期：——
• New series of É£-pyrone based Podands: synthesis, characterization and study of their application in acetate salts cation trapping in nucleophilic substituted reactions
  作者：Reza Teimuri-Mofrad、Alireza Aghaiepour、Keshvar Shabnam Rahimpour

  DOI：10.24820/ark.5550190.p010.827

  日期：——

  Dialkyl 4-oxo-4H-pyran-2,6-dicarboxylates are synthesized via esterification of chelidonic acid or via intramolecular cyclization of dialkyl-2,4,6-trioxoheptanedioates. Reaction of the dialkyl 4-oxo-4H-pyran-2,6-dicarboxylates with a variety of glycol monoalkyl ethers produces a series of new podands in good yields. To demonstrate the use of these podands in cation trapping, nucleophilic substitution reactions are carried out with various acetate salts. The results indicate that the cation diameter's compatibility with binding site leads to the best yield of reaction.[GRAPHICS].
• Attenburrow et al., Journal of the Chemical Society, 1945, p. 571,574
  作者：Attenburrow et al.

  DOI：——

  日期：——

表征谱图