[3-[4-[1,1-Bis[4-[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxyphenyl]ethyl]phenoxy]-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methyl-3-oxopropyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate | 241818-66-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: [3-[4-[1,1-Bis[4-[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxyphenyl]ethyl]phenoxy]-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methyl-3-oxopropyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
• CAS: 241818-66-6
• 化学式: C₆₅H₉₀O₃₀
• 分子量: 1351.41
• InChiKey: FCDKGDDFCQIWDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  95
• 可旋转键数：
  48
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  480
• 氢给体数：
  12
• 氢受体数：
  30

反应信息

• 作为反应物：
  描述：

  、 [3-[4-[1,1-Bis[4-[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxyphenyl]ethyl]phenoxy]-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methyl-3-oxopropyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate 在 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 DPTS 作用下， 以 吡啶 、 二氯甲烷 为溶剂， 以79%的产率得到HO((OSi(o-carboranylmethyl))3O2H)3H
  参考文献：
  名称：

  Synthesis and Properties of Carborane-Functionalized Aliphatic Polyester Dendrimers

  摘要：

  The incorporation of multiple p-carborane cages within an aliphatic polyester dendrimer was accomplished through the preparation of a bifunctional carborane synthon. A p-carborane derivative having an acid and a protected alcohol functionality was found to efficiently couple to peripheral hydroxyl groups of low-generation dendrimers under standard esterification conditions. Deprotection of carborane hydroxyl groups allowed for further dendronization through a divergent approach using the highly reactive anhydride of benzylidene-protected 2,2-bis(hydroxymethyl)propanoic acid. This approach was used to prepare fourth-and fifth-generation dendrimers that contain 4, 8, and 16 carborane cages within their interior. Upon peripheral deprotection to liberate a polyhydroxylated dendrimer exterior, these structures exhibited aqueous solubility as long as a minimum of eight hydroxyl groups per carborane were present. Several of the water-soluble structures were found to exhibit a lower critical solution temperature. Additionally, irradiation of these materials with thermal neutrons resulted in emission of gamma radiation that is indicative of boron neutron capture events occurring within the carborane-containing dendrimers.

  DOI：

  10.1021/ja053730l
• 作为产物：
  描述：

  在 10percent Pd/C 氢气 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 以97%的产率得到[3-[4-[1,1-Bis[4-[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxyphenyl]ethyl]phenoxy]-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methyl-3-oxopropyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
  参考文献：
  名称：

  通过酸酐偶联快速方便地发散合成脂肪族酯树枝状聚合物

  摘要：

  使用缩醛保护的 2,2-双（羟甲基）丙酸酐衍生物作为酰化剂，开发了一种新的发散方法，用于合成树枝状脂肪族聚酯结构。这种发散合成非常引人注目，因为与所有其他合成不同，它只需要少量过量的试剂即可实现定量增长，除了简单的溶剂萃取或沉淀外，不需要任何纯化手段。以1,1,1-三(羟基苯基)乙烷为核心分子，以高产率和高纯度制备了分子量为30 711道尔顿和192个掩蔽羟基的单分散第六代树枝状聚合物。

  DOI：

  10.1021/ja010524e

文献信息

• ANTIMICROBIAL COMPOSITIONS, METHODS OF PREPARATION THEREOF, AND USES THEREOF
  申请人：Coady Daniel J.

  公开号：US20120251607A1

  公开（公告）日：2012-10-04

  A composition of matter comprises a cationic polymer comprising a polycarbonate chain fragment, the polycarbonate chain fragment comprising a repeat unit comprising a side chain moiety containing a quaternary amine group; and a non-charged polymer comprising a polyester chain segment and a poly(alkylene oxide) chain segment; wherein i) the cationic polymer and the non-charged polymer are amphiphilic and biocompatible, ii) the cationic polymer and the non-charged polymer form a mixed complex by non-covalent interactions in water, and iii) the mixed complex is a more effective antimicrobial agent against at least a Gram-negative microbe compared to the cationic polymer and the non-charged polymer alone when tested using otherwise identical conditions.

  一种物质的组成包括阳离子聚合物，该阳离子聚合物包括聚碳酸酯链片段，所述聚碳酸酯链片段包括一个重复单元，所述重复单元包括一个含季铵胺基团的侧链部分；以及一种非带电聚合物，包括聚酯链段和聚（烷基氧化物）链段；其中i）所述阳离子聚合物和非带电聚合物是两性且生物相容的，ii）所述阳离子聚合物和非带电聚合物在水中通过非共价相互作用形成混合复合物，iii）与单独使用时，所述混合复合物在至少一种革兰氏阴性微生物的抗菌剂测试中比阳离子聚合物和非带电聚合物更有效。
• CATIONIC POLYMERS FOR ANTIMICROBIAL APPLICATIONS AND DELIVERY OF BIOACTIVE MATERIALS
  申请人：Coady Daniel Joseph

  公开号：US20120251608A1

  公开（公告）日：2012-10-04

  A cationic star polymer is disclosed of the general formula (1): I′P′] w′ (1), wherein w′ is a positive number greater than or equal to 3, I′ is a dendritic polyester core covalently linked to w′ independent peripheral linear cationic polymer chains P′. Each of the chains P′ comprises a cationic repeat unit comprising i) a backbone functional group selected from the group consisting of aliphatic carbonates, aliphatic esters, aliphatic carbamates, aliphatic ureas, aliphatic thiocarbamates, aliphatic dithiocarbonates, and combinations thereof, and ii) a side chain comprising a quaternary amine group. The quaternary amine group comprises a divalent methylene group directly covalently linked to i) a positive charged nitrogen and ii) an aromatic ring.

  公开了一种阳离子星形聚合物，其一般式为（1）：I′P′]w′（1），其中w′是大于或等于3的正数，I′是一个树枝状聚酯核心，与w′个独立的外周线性阳离子聚合物链P′共价连接。每个链P′包括一个阳离子重复单元，包括i）从群组中选择的骨架功能基，该群组包括脂肪族碳酸酯，脂肪族酯，脂肪族氨基甲酸酯，脂肪族脲，脂肪族硫脲酸酯，脂肪族二硫代碳酸酯及其组合物，以及ii）包括季铵基团的侧链。季铵基团包括一个二价亚甲基基团，直接共价连接到i）一个正电荷氮和ii）一个芳香环。
• US8580384B2
  申请人：——

  公开号：US8580384B2

  公开（公告）日：2013-11-12
• US8642086B2
  申请人：——

  公开号：US8642086B2

  公开（公告）日：2014-02-04
• US8709466B2
  申请人：——

  公开号：US8709466B2

  公开（公告）日：2014-04-29