dicyclohexyl 4-hydroxyphthalate

• 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: dicyclohexyl 4-hydroxyphthalate
• 英文别名: Dicyclohexyl 4-hydroxybenzene-1,2-dicarboxylate
• 化学式: C₂₀H₂₆O₅
• 分子量: 346.423
• InChiKey: KKMCIRDYHDDOEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-羟基邻苯二甲酸 、 环己醇 在 硫酸 作用下， 以83%的产率得到dicyclohexyl 4-hydroxyphthalate
  参考文献：
  名称：

  Structural essentials of xenoestrogen dialkyl phthalates to bind to the estrogen receptors

  摘要：

  Xenoestrogen dialkyl phthalates. C6H4(COOCnHm)(2) lack the phenolic hydroxyl group that is an essential structural component of the steroid A ring of 17 beta -estradiol. In order to examine wh;ther dialkyl phthalates imitate the steroid structure, we have synthesized a series of 4-hydroxyl derivatives of dialkyl phthalates. The compounds were examined for their ability to displace [H-3]17 beta -estradiol from the recombinant human estrogen receptor, which was expressed on Sf9 cells using the vaculovirus expression system. Dialkyl 4-hydroxyl phthalates were found to exhibit several-fold higher binding affinities compared to phthalates without the 4-hydroxyl group. From the analyses of receptor binding modes of dialkyl phthalates with and without the 4-hydroxyl group. it was deduced that the phthalic benzene ring mimics the steroid A ring. A biphasic binding curve observed for dicyclohexyl phthalate was also depicted by its 4-hydroxyl derivative. but it increased binding affinity only at the high affinity binding site. These data suggest that the phthalate benzene moiety recognizes the core of the estrogen receptor binding site and the hydrophobic interaction of the dialkyl moiety substantiates the binding characteristics of the phthalates. The present data indicate that even chemicals with slight structural analogy and weak receptor affinity can perturb the endocrine system when administered in high concentrations. (C) 2000 Elsevier Science Ireland Ltd. All rights reserved.

  DOI：

  10.1016/s0378-4274(00)00253-8

文献信息

• RECORDING MATERIAL PRODUCED USING NON-PHENOL COMPOUND
  申请人：NIPPON SODA CO., LTD.

  公开号：US20150284321A1

  公开（公告）日：2015-10-08

  An object of the present invention is to provide a recording material or a recording sheet using, as a color-developing agent, a non-phenol compound that is a safe compound in no danger of corresponding to an endocrine disruptor and is good in color developing performance. The non-phenol compound used in the present invention is at least one selected from the group consisting of compounds represented by the following formulas (I) to (III).

  本发明的目的是提供一种使用非酚类化合物作为显色剂的记录材料或记录纸，该非酚类化合物是一种安全化合物，不会对应到内分泌干扰物，并且在显色性能方面表现良好。本发明中使用的非酚类化合物至少选自以下化合物所代表的化合物组，其化学式为(I)至(III)。
• RECORDING MATERIAL COMPRISING DIPHENYL SULFONE DERIVATIVE AND NOVEL DIPHENYL SULFONE DERIVATIVE COMPOUND
  申请人：NIPPON SODA CO., LTD.

  公开号：EP1557408A1

  公开（公告）日：2005-07-27

  The present invention provides a recording material which has excellent background stability, specifically heat resistance and heat and humidity resistance of the background. The recording material containing a color forming dye is characterized by containing at least one kind of diphenylsulfone derivative represented by the general formula (I): (wherein R1 and R2 each represents a hydrogen atom or a C1 to C6 alkyl group, n represents an integer of 1 to 6, R3 and R4 each represents a halogen atom, a C1 to C6 alkyl group, etc., p and q each represents an integer of 0 to 4, X represents OR5 or NR6R7 wherein R5 represents a C1 to C6 alkyl group, a C1 to C6 hydroxyalkyl group, or a C1 to C6 alkoxy-C1 to C6 alkyl group, and R6 and R7 each represents a hydrogen atom, a C1 to C6 alkyl group, etc).

  本发明提供了一种具有优异背景稳定性的记录材料，特别是具有优异的耐热性和耐热潮湿性的背景。含有一种颜色形成染料的记录材料的特征在于其至少含有一种由通式（I）表示的二苯砜衍生物：（其中R1和R2分别表示氢原子或C1至C6烷基，n表示1至6的整数，R3和R4分别表示卤素原子、C1至C6烷基等，p和q分别表示0至4的整数，X表示OR5或NR6R7，其中R5表示C1至C6烷基、C1至C6羟基烷基或C1至C6烷氧基-C1至C6烷基，R6和R7分别表示氢原子、C1至C6烷基等）。
• COLOR DEVELOPING COMPOSITION CONTAINING MOLECULAR COMPOUND, AND RECORDING MATERIAL
  申请人：Kodama Satoshi

  公开号：US20110120345A1

  公开（公告）日：2011-05-26

  Provided is a color-developing composition containing a molecular compound which has as a component compound a compound represented by formula (I) [wherein Y represents a C1-C12 hydrocarbon group which is chained or branched and saturated or unsaturated, or a C1-C8 hydrocarbon group which is chained or branched, saturated or unsaturated and has an ether or thioether bond; R 1 , R 2 , R 3 and R 4 each independently represent a C1-C6 alkyl group or C2-C6 alkenyl group; n, p, q and r each represents any integer of 0 to 4; and m represents any integer of 0 to 2]. Also provided is a recording material with a sufficient color-forming sensitivity, superior storage stability, and especially with an extremely little background fogging in a heat resistance test.

  提供的是一种含有分子化合物的彩色显影组合物，该分子化合物的组分包括由式（I）表示的化合物[其中Y表示链状或支链的C1-C12烃基，饱和或不饱和，或链状或支链的C1-C8烃基，饱和或不饱和，且具有醚或硫醚键；R1、R2、R3和R4各自独立地表示C1-C6烷基或C2-C6烯基；n、p、q和r各自表示0至4的任意整数；m表示0至2的任意整数]。还提供了一种具有足够的显色敏感性、优异的储存稳定性，特别是在耐热性测试中具有极少背景雾化的记录材料。
• [EN] HEAT SENSITIVE RECORDING MATERIAL<br/>[FR] MATERIAU D'ENREGISTREMENT THERMOSENSIBLE
  申请人：CIBA SC HOLDING AG

  公开号：WO2003101943A1

  公开（公告）日：2003-12-11

  New crystal forms of N-(p-toluenesulphonyl)-N'-(3-p-toluenesulphonyl-oxy-phenyl)urea, methods for its manufacture, its use, in particular for the manufacture of heat sensitive recording materials.

  新的晶体形态的N-(对甲苯磺酰基)-N'-(3-对甲苯磺酰氧基苯基)脲的制备方法及其用途，特别是用于制造热敏记录材料。
• Phenolic compound and recording material containing the same
  申请人：Hidaka Tomoya

  公开号：US20050096222A1

  公开（公告）日：2005-05-05

  An object of the present invention is to provide a novel phenolic compound, and a recording material containing the same, which is excellent in storage stability. The object can be achieved by a phenolic compound represented by the formula (I): [wherein m represents an integer of 0 to 2; R 1 and R 2 each independently represents a C1-C6 alkyl group or a C1-C6 alkoxy group; p and q each independently represents an integer of 0 to 4; t and u each independently represents 0 or 1 and do not simultaneously represent 0; and X represents a group represented by any of the formulas (II) to (VII): (wherein R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 and R 11 each independently represents a hydrogen atom or a C1-C6 alkyl group; a represents an integer of 1 to 6; b represents an integer of 0 to 4; and c represents an integer of 0 to 6)] and a recording material containing the same.

  本发明的目的是提供一种新的酚类化合物和含有该化合物的记录材料，其具有良好的储存稳定性。所述目的可以通过由式（I）表示的酚类化合物实现：[其中，m表示0到2的整数；R1和R2各自独立地表示C1-C6烷基或C1-C6烷氧基；p和q各自独立地表示0到4的整数；t和u各自独立地表示0或1且不同时表示0；X表示由式（II）到（VII）中任意一种表示的基团：[其中，R3、R4、R5、R6、R7、R8、R9、R10和R11各自独立地表示氢原子或C1-C6烷基；a表示1到6的整数；b表示0到4的整数；c表示0到6的整数]，以及含有该化合物的记录材料。