3-[4-(二乙基氨基)苯基]-3-(1-乙基-2-甲基-1H-吲哚-3-基)-1(3H)-异苯并呋喃酮 | 75805-17-3

• 物质功能分类: 有机原料 - 氨基化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 中文名称: 3-[4-(二乙基氨基)苯基]-3-(1-乙基-2-甲基-1H-吲哚-3-基)-1(3H)-异苯并呋喃酮
• 英文名称: 3-(4-(diethylamino)phenyl)-3-(1-ethyl-2-methyl-1H-indol-3-yl)isobenzofuran-1(3H)-one
• 英文别名: Blue 502；3-(4-diethylaminophenyl)-3-(1-ethyl-2-methylindol-3-yl) phthalide；3-[4-(Diethylamino)phenyl]-3-(1-ethyl-2-methyl-1H-indol-3-YL)phthalide；3-[4-(diethylamino)phenyl]-3-(1-ethyl-2-methylindol-3-yl)-2-benzofuran-1-one
• CAS: 75805-17-3
• 化学式: C₂₉H₃₀N₂O₂
• 分子量: 438.569
• InChiKey: HOUWRQXIBSGOHF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  34.5
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• N,N'-DIARYLUREA DERIVATIVE, MANUFACTURING METHOD THEREOF, AND THERMOSENSITIVE RECORDING MATERIAL USING SAME
  申请人：SANKO CO., LTD.

  公开号：US20210340099A1

  公开（公告）日：2021-11-04

  The present invention relates to an N,N′-diurea derivative represented by the following general formula (1) and a method for producing the same. In addition, the present invention relates to a thermosensitive recording material in which a thermosensitive recording layer including a basic dye which is colorless or lightly colored at room temperature and a developer capable of developing color upon contact with the basic dye by heating is provided on a base sheet, wherein the developer is the N,N′-diurea derivative represented by the following general formula (1): (wherein R2 is an alkyl group, an aralkyl group, or an aryl group; and A 1 is a hydrogen atom or an alkyl group).

  本发明涉及一种由以下一般式（1）表示的N,N′-二脲衍生物以及其制备方法。此外，本发明涉及一种热敏记录材料，其中在基底纸上提供了一个热敏记录层，该热敏记录层包括在室温下无色或轻染色的碱性染料和一种与碱性染料接触加热后能够显色的显色剂，其中显色剂为以下一般式（1）表示的N,N′-二脲衍生物：（其中R2为烷基、芳基烷基或芳基；A1为氢原子或烷基）。
• THERMAL RECORDING MATERIAL CONTAINING TRIS(2-METHYL- 4-HYDROXY-5-t-BUTYLPHENYL)BUTANE
  申请人：Tobita Etsuo

  公开号：US20100249466A1

  公开（公告）日：2010-09-30

  A thermal recording material of the invention contains, as a storability improver, tris(2-methyl-4-hydroxy-5-t-butylphenyl)butane trapping and containing water and/or methanol and having a crystal structure that shows a maximum X-ray diffraction peak at a diffraction angle 2θ of 6.58° according to X-ray diffraction measurement using an X ray having a wavelength of a Cu—Kα line. The recording material has improved heat resistance in non-printing sections while maintaining the moisture-and-heat resistance in printing sections. The thermal recording material of the invention has a thermal-recording layer that contains the tris(2-methyl-4-hydroxy-5-t-butylphenyl)butane in an amount of preferably 0.1 to 15% by mass with respect to the thermal-recording layer. The amount of the water and/or methanol trapped and contained in the tris(2-methyl-4-hydroxy-5-t-butylphenyl)butane is preferably 0.1 to 10% by mass in total.

  该发明的热记录材料中包含一种作为稳定性改进剂的三(2-甲基-4-羟基-5-叔丁基苯基)丁烷，用于捕获和含有水和/或甲醇，并具有晶体结构，根据使用波长为Cu-Kα线的X射线衍射测量，在衍射角2θ为6.58°处显示最大X射线衍射峰。该记录材料在非打印部分具有改进的耐热性，同时保持打印部分的耐潮湿和耐热性。该发明的热记录材料具有热记录层，其中三(2-甲基-4-羟基-5-叔丁基苯基)丁烷的含量最好为热记录层的质量百分比0.1至15%。三(2-甲基-4-羟基-5-叔丁基苯基)丁烷中捕获和含有的水和/或甲醇的量最好总质量百分比为0.1至10%。
• THERMOCHROMIC PIGMENT COMPOSITIONS
  申请人：SOCIETE BIC

  公开号：US20200207699A1

  公开（公告）日：2020-07-02

  A thermochromic pigment composition including compounds of formula (I): in which: X represents CHR 2 , O, OCO or CH═CH; Y represents O, COO, or OCOO; R 1 represents H or (CH 2 ) p CH 3 ; R 2 represents phenyl or H; m=12-18; n=0-14; p=12-18; and on the condition that, if n=0, X represents CHR 2 or CH═CH. The thermochromic pigment compositions having compounds of formula (I), include thermochromic pigment microcapsules. The thermochromic pigment capsules are useable for thermochromic pigment compositions in ink which may be used writing instruments.

  一种热变色颜料组合物，包括以下化合物（I）的化合物： 其中：X代表CHR2、O、OCO或CH═CH；Y代表O、COO或OCOO；R1代表H或（CH2）pCH3；R2代表苯基或H；m=12-18；n=0-14；p=12-18；并且在条件下，如果n=0，X代表CHR2或CH═CH。含有化合物（I）的热变色颜料组合物包括热变色颜料微胶囊。这些热变色颜料胶囊可用于墨水中的热变色颜料组合物，可用于书写工具。
• Yellow Thermochromic Dyes, Inks Composition And Level Indicators
  申请人：Chromatic Technologies, Inc.

  公开号：US20160333210A1

  公开（公告）日：2016-11-17

  A new leuco dye produces a yellow color while demonstrating also exceptional light and thermal stability under light.

  一种新的白色染料产生黄色，同时在光照下表现出卓越的光和热稳定性。
• [EN] COLOUR CHANGE COMPOSITION AND COMPOUNDS<br/>[FR] COMPOSITION DE CHANGEMENT DE COULEUR ET COMPOSÉS
  申请人：THERMOGRAPHIC MEASUREMENTS LTD

  公开号：WO2021019074A1

  公开（公告）日：2021-02-04

  The invention provides a colour change composition containing an electron donating organic colouring compound, an electron accepting compound and a compound of formula (I): wherein E is an ester linkage O-CO or -CO2, R is independently selected from an optionally substituted linear or branched alkyl group, alkenyl cycloalkyl group, alkenyl group, alkoxy group, aryl and alkylene aryl group having from 6 to 22 carbon atoms; Y1 Y2 X1 and X2 are independently selected from hydrogen, R', -OR' and halogen; wherein R' is independently selected from an optionally substituted linear or branched alkyl group, alkenyl group, alkoxy group, aryl group and an alkylene aryl group; having from 5 to 22 carbon atoms; r and p each represent and integer from 0 to 3. The compound of formula (I) and compositions of the invention are useful in providing a colour change effect, in memory compositions and visual indicators, particularly in security and healthcare applications.

  本发明提供了一种颜色变化组合物，其包含一个电子供体有机染色化合物，一个电子受体化合物和一个式子（I）的化合物： 其中，E是酯键O-CO或-CO2，R是独立选择的可选取代的线性或支链烷基，烯基环烷基，烯基基团，烷氧基，芳基和具有6到22个碳原子的烷基芳基基团；Y1，Y2，X1和X2独立选择自氢，R'，-OR'和卤素；其中，R'是独立选择的可选取代的线性或支链烷基，烯基基团，烷氧基，芳基和具有5到22个碳原子的烷基芳基基团；r和p各代表0到3的整数。式（I）的化合物和本发明的组合物在提供颜色变化效果，存储组合物和视觉指示器，特别是在安全和医疗应用中非常有用。