碳酸二(2,3,4,5,6-五氯苯基)酯 | 7497-08-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 碳酸二(2,3,4,5,6-五氯苯基)酯
• 英文名称: bis(pentachlorophenyl) carbonate
• 英文别名: Decachlorodiphenyl carbonate；bis(2,3,4,5,6-pentachlorophenyl) carbonate
• CAS: 7497-08-7
• 化学式: C₁₃Cl₁₀O₃
• 分子量: 558.671
• InChiKey: XXTXONAHTURMCQ-UHFFFAOYSA-N

物化性质

• 熔点：
  263-266 °C
• 沸点：
  575.9±50.0 °C(Predicted)
• 密度：
  1.871±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.9
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2,3,4,4,5,6-六氯-2,5-环己二烯-1-酮 在 二硫化碳 、 三氯化铝 作用下， 生成 碳酸二(2,3,4,5,6-五氯苯基)酯
  参考文献：
  名称：

  Barral, Bulletin de la Societe Chimique de France, 1895, vol. <3> 13, p. 340,343

  摘要：

  DOI：

文献信息

• Photo-on-Demand Base-Catalyzed Phosgenation Reactions with Chloroform: Synthesis of Arylcarbonate and Halocarbonate Esters
  作者：Yuka Hashimoto、Sasuga Hosokawa、Fengying Liang、Yuto Suzuki、Namin Dai、Gegen Tana、Kazuo Eda、Toshifumi Kakiuchi、Takashi Okazoe、Hidefumi Harada、Akihiko Tsuda

  DOI：10.1021/acs.joc.1c01210

  日期：2021.7.16

  utilized as solvents and reagents for C1 building blocks in organic synthesis. This study reports a novel photo-on-demand in situ synthesis of carbonate esters with CHCl3 solutions containing a mixture of an aromatic or haloalkyl alcohol having relatively high acidity, and an organic base. We found that the acid–base interaction of the alcohol and base in the CHCl3 solution plays a key role in enabling the

  碳酸酯在有机合成中用作 C1 结构单元的溶剂和试剂。该研究报告了一种新型的光按需原位合成碳酸酯与 CHCl 3溶液，其中CHCl 3溶液包含具有相对较高酸度的芳香族或卤代烷基醇和有机碱的混合物。我们发现，CHCl 3溶液中醇和碱的酸碱相互作用在光化学反应中起着关键作用。该反应允许实际合成碳酸二苯酯衍生物、卤代烷基碳酸酯和聚碳酸酯，它们是工业中重要的化学品和材料。
• 1,3,6-DIOXAZOCAN-2-ONES AND ANTIMICROBIAL CATIONIC POLYCARBONATES THEREFROM
  申请人：Agency for Science, Technology and Research

  公开号：US20150264932A1

  公开（公告）日：2015-09-24

  Eight-membered ring cyclic carbonates comprising a ring nitrogen at position 6 (1,3,6-dioxazocan-2-ones) were prepared by reaction of precursor diols with active carbonates. The ring nitrogen is linked to a pendant group Y′ via a methylene linking group. The cyclic carbonates undergo organocatalyzed ring opening polymerization to form an initial polycarbonate comprising a backbone tertiary amine group. Quaternization of the initial polycarbonates forms cationic polycarbonates comprising a positive-charged backbone quaternary nitrogen. The cationic polycarbonates can be potent antimicrobial agents.

  含有八元环的环状碳酸酯，其中在位置6处有一个环状氮原子（1,3,6-二氧杂环己烷-2-酮），通过前体二醇与活性碳酸酯的反应制备。环状氮原子通过一个亚甲基连接基团与一个挂链基团Y'相连。这些环状碳酸酯经有机催化的环开聚合反应形成初始聚碳酸酯，其中包含一个主链三级胺基团。对初始聚碳酸酯进行季铵化形成带有正电荷主链季铵氮的阳离子聚碳酸酯。这些阳离子聚碳酸酯可以是有效的抗菌剂。
• CATIONIC BIS-UREA COMPOUNDS AS EFFECTIVE ANTIMICROBIAL AGENTS
  申请人：Coady Daniel Joseph

  公开号：US20130281515A1

  公开（公告）日：2013-10-24

  A cationic bis-urea compound is disclosed of formula (1): wherein: each m is independently an integer of 0 to 4, each k is independently 0 or 1, each Z′ is a monovalent radical independently selected from the group consisting of hydroxyl (*—OH), carboxyl (*—COOH), cyano (*—CN), nitro (*—NO 2 ), sulfonate (*—SO 3 − ), trifluoromethyl (*—CF 3 ), halides, amine groups, ketone groups, alkyl groups comprising 1 to 6 carbons, alkoxy groups comprising 1 to 6 carbons, thioether groups comprising 1 to 6 carbons, and combinations thereof, each L′ is independently a divalent alkylene group comprising 1 to 6 carbons, wherein a *-[-L′-] k - is a single bond when k is 0, each Y′ is independently a monovalent non-polymeric radical comprising a positive charged amine, and each X′ is independently a negative charged counterion.

  揭示了一种带正电的双脲化合物，其化学式为（1）：其中：每个m独立地是0到4的整数，每个k独立地是0或1，每个Z′是从羟基（*—OH）、羧基（*—COOH）、氰基（*—CN）、硝基（*—NO2）、磺酸根（*—SO3−）、三氟甲基（*—CF3）、卤素、胺基、酮基、含有1至6个碳的烷基、含有1至6个碳的烷氧基、含有1至6个碳的硫醚基和它们的组合中独立选择的一价基团，每个L′独立地是由1至6个碳组成的二价烷基，其中当k为0时，*-[-L′-]k-是单键，每个Y′独立地是包含正电荷胺基的一价非聚合物基团，每个X′独立地是带负电荷的对离子。
• CARBONATE DERIVATIVE PRODUCTION METHOD
  申请人：NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY

  公开号：US20200079723A1

  公开（公告）日：2020-03-12

  The objective of the present invention is to provide a method for producing a carbonate derivative in a safe and efficient manner. The method for producing a carbonate derivative according to the present invention is characterized in comprising irradiating light on a composition containing a C 1-4 halogenated hydrocarbon having one or more kinds of halogen atoms selected from the group consisting of a chlorine atom, a bromine atom and an iodine atom, a nucleophilic functional group-containing compound and the specific base in the presence of oxygen.

  本发明的目的是以安全高效的方式提供生产碳酸酯衍生物的方法。根据本发明的生产碳酸酯衍生物的方法的特征在于，在含有一种或多种来自氯原子、溴原子和碘原子组成的卤素原子的C1-4卤代烃、含有亲核功能基团的化合物和特定碱的组合物中，在氧气存在下照射光线。
• CYCLIC CARBONATE MONOMERS AND RING OPENED POLYCARBONATES THEREFROM
  申请人：International Business Machines Corporation

  公开号：US20160009860A1

  公开（公告）日：2016-01-14

  Eight-membered ring cyclic carbonates having an oxygen or an acylated nitrogen at position 6 were prepared by reaction of precursor diols with ethyl chloroformate. The cyclic carbonates undergo organocatalyzed ring opening polymerization. In one instance, the initial polymer formed comprises a carbonate repeat unit having a Boc-protected nitrogen in the polymer backbone. Deprotecting the nitrogen with acid forms a cationic carbonate repeat unit having a positive charged secondary ammonium nitrogen in the polymer backbone.

  通过前体二醇与乙酰氯甲酸酯反应制备了在6位具有氧或酰化氮的八元环环状碳酸酯。这些环状碳酸酯经过有机催化的开环聚合。在一个实例中，初始聚合物由具有Boc保护氮的碳酸酯重复单元组成。用酸去保护氮会形成带有正电荷的次级铵氮的阳离子碳酸酯重复单元在聚合物骨架中。