dimethyl 5-(hexadecyloxy)isophthalate | 258883-88-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: dimethyl 5-(hexadecyloxy)isophthalate
• 英文别名: 5-hexadecyloxy-isophthalic acid dimethyl ester；Dimethyl-5-hexadecyloxyisophthalate；dimethyl 5-hexadecoxybenzene-1,3-dicarboxylate
• CAS: 258883-88-4
• 化学式: C₂₆H₄₂O₅
• 分子量: 434.616
• InChiKey: RPWPSCSHPFEAHU-UHFFFAOYSA-N

物化性质

• 沸点：
  522.9±30.0 °C(Predicted)
• 密度：
  0.994±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.3
• 重原子数：
  31
• 可旋转键数：
  20
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  dimethyl 5-(hexadecyloxy)isophthalate 以 乙醚 为溶剂， 反应 3.0h， 以37.9%的产率得到1-hexadecyloxy-3,5-bis(hydroxymethyl)benzene
  参考文献：
  名称：

  Bicephalic amphiphile architecture affects antibacterial activity

  摘要：

  A series of cationic amphiphiles, each with an aromatic core, was prepared and investigated for antimicrobial properties. The synthesized amphiphiles in this study are bicephalic (double-headed) in that they each possess two trimethylammonium head groups and a single linear alkoxy tail. Minimum inhibitory and minimum bactericidal concentrations of these amphiphiles were in the low micromolar range. Antimicrobial activities are highly sensitive to the chain length of the hydrophobic region, and modestly reliant on the relative positioning of the head groups on the aromatic core. These trends were more pronounced in time kill assays, wherein longer chain compounds required significantly shorter times to completely kill bacteria. Microscopy suggested that the mode of cell death was lysis. Strong inhibition was observed with both biscationic compounds and monocationic comparisons against Gram-positive bacteria: only biscationic amphiphiles maintained good activity versus the Gram-negative bacteria tested. These observations provide direction for future antimicrobial structural investigations. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.06.026
• 作为产物：
  描述：

  5-羟基间苯二甲酸二甲酯 、 溴代十六烷 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 生成 dimethyl 5-(hexadecyloxy)isophthalate
  参考文献：
  名称：

  自修复和形状记忆超交联金属有机多面体聚合物通过配位后组装

  摘要：

  使用可溶性和定义明确的MOPs作为高连接性构建块制备了一种配位超交联MOP（CHMOP）聚合物。MOPs的引入构建了一个协调动态网络，不仅增强了机械性能，而且实现了包括自愈、形状记忆、溶液加工性和3D打印在内的多功能。CHMOPs 为智能软材料的扩展提供了一个新颖的平台。

  DOI：

  10.1002/anie.202212253

文献信息

• [EN] ALKOXYPHENYLCARBOXYLIC ACID DERIVATIVES<br/>[FR] DERIVES D'ACIDE ALCOXYPHENYLCARBOXYLIQUE
  申请人：CIBA SC HOLDING AG

  公开号：WO2005079744A1

  公开（公告）日：2005-09-01

  Use of compounds of formula (I) wherein R1 is substituted or unsubstituted C8-C30alkyl or substituted or unsubstituted C3-C7cyclo- alkyl, and R2 is H, COOH or substituted or unsubstituted O-C1-C30alkyl, in the antimicrobial treatment of surfaces, in the preservation of cosmetics, household products, textiles and plastics, and for use in disinfectants.

  在表面的抗菌处理中使用式（I）化合物，其中R1是取代或未取代的C8-C30烷基或取代或未取代的C3-C7环烷基，R2是H、COOH或取代或未取代的O-C1-C30烷基，用于保护化妆品、家用产品、纺织品和塑料，并用于消毒剂。
• SELF-ASSEMBLED NANOSTRUCTURES
  申请人：MAKEIFF Darren Andrew

  公开号：US20110311813A1

  公开（公告）日：2011-12-22

  Nanostructures are formed from alkylated derivatives of aromatic acids of the formula: wherein at least one of R 1 to R 6 represents a carboxylic acid group, a primary amide group, an ester group, an amidine group, or a salt thereof, at least one other of R 1 to R 6 is X—R c , and the remaining of R 1 to R 6 independently represent H or substituted or unsubstituted organic groups; X represents a linking group; and R c represents a substituted or unsubstituted alkyl group.

  纳米结构是由芳香酸的烷基衍生物形成的，其化学式为：其中至少有一个R1至R6代表羧酸基，一级酰胺基，酯基，酰胺基或其盐，至少另一个R1至R6是X-Rc，其余的R1至R6独立地表示H或取代或未取代的有机基团；X代表连接基团；而Rc代表取代或未取代的烷基团。
• Self-assembled nanostructures
  申请人：Makeiff Darren Andrew

  公开号：US08703988B2

  公开（公告）日：2014-04-22

  Nanostructures are formed from alkylated derivatives of aromatic acids of the formula: wherein at least one of R1 to R6 represents a carboxylic acid group, a primary amide group, an ester group, an amidine group, or a salt thereof, at least one other of R1 to R6 is X—Rc, and the remaining of R1 to R6 independently represent H or substituted or unsubstituted organic groups; X represents a linking group; and Rc represents a substituted or unsubstituted alkyl group.

  纳米结构由芳香酸烷基衍生物形成，其化学式为：其中至少有一个R1至R6代表羧酸基、一级酰胺基、酯基、酰胺基或其盐，至少另一个R1至R6是X—Rc，其余的R1至R6独立地表示H或取代或未取代的有机基团；X代表连结基；Rc代表取代或未取代的烷基团。
• Alkoxyphenylcarboxylic acid derivatives
  申请人：Holzl Werner

  公开号：US20070196407A1

  公开（公告）日：2007-08-23

  Use of compounds of formula (I) wherein R 1 is substituted or unsubstituted C 8 -C 30 alkyl or substituted or unsubstituted C 3 -C 7 cyclo-alkyl, and R 2 is H, COOH or substituted or unsubstituted O-C 1 -C 30 alkyl, in the antimicrobial treatment of surfaces, in the preservation of cosmetics, household products, textiles and plastics, and for use in disinfectants.

  使用式（I）化合物，在表面的抗菌处理中，用于保护化妆品、家居产品、纺织品和塑料，并用于消毒剂中，其中R1为取代或未取代的C8-C30烷基或取代或未取代的C3-C7环烷基，R2为H、COOH或取代或未取代的O-C1-C30烷基。
• ANTIMICROBIAL AMPHIPHILES AND METHODS FOR THEIR USE
  申请人：Minbiole Kevin P.

  公开号：US20140148487A1

  公开（公告）日：2014-05-29

  The present invention is directed to compositions useful for antimicrobial applications. These compositions comprise amphiphilic compounds.

  本发明涉及用于抗微生物应用的组合物。这些组合物包括两性化合物。