3,3-双(1-丁基-2-甲基-1H-吲哚-3-基)-1(3H)-异苯并呋喃酮 | 50292-91-6

• 物质功能分类: 材料化学
• 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: 3,3-双(1-丁基-2-甲基-1H-吲哚-3-基)-1(3H)-异苯并呋喃酮
• 中文别名: 3,3-双(1-丁基-2-甲基-1H-吲哚-3-基)异苯并呋喃-1(3h)-酮；3,3-二(1-丁基-2-甲吲哚-3-基)苯酞；3,3-双(1-丁基-2-甲基-1H-吲哚-3-基)-1(3H)-异苯
• 英文名称: 3,3-Bis<1-(butyl)-2-(methyl)indolynyl>-1(3H)-isobenzofuran-3-one
• 英文别名: 3,3-bis-(1-butyl-2-methyl-indol-3-yl)-3H-isobenzofuran-1-one；3,3-bis(1-butyl-2-methyl-1H-indol-3-yl)phthalide；3,3-bis(1-n-butyl-2-methylindol-3-yl)phthalide；3,3-bis(1-butyl-2-methylindol-3-yl) phthalide；1(3H)-Isobenzofuranone, 3,3-bis(1-butyl-2-methyl-1H-indol-3-yl)-；3,3-bis(1-butyl-2-methylindol-3-yl)-2-benzofuran-1-one
• CAS: 50292-91-6
• 化学式: C₃₄H₃₆N₂O₂
• 分子量: 504.672
• InChiKey: JZEPXWWZAJGALH-UHFFFAOYSA-N

物化性质

• 沸点：
  687.1±55.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  38
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  36.2
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  3,3-双(1-丁基-2-甲基-1H-吲哚-3-基)-1(3H)-异苯并呋喃酮 、 乙醇 、 一水合肼 在 ice 、 乙醇 作用下， 以 水 为溶剂， 反应 48.0h， 以to obtain 23.65 g of 4,4-bis(1-butyl-2-methylindol-3-yl)-phthalazin-1(2H)-one (Formula V的产率得到4,4-bis(1-butyl-2-methylindol-3-yl)-phthalazin-1(2H)-one
  参考文献：
  名称：

  Compounds, processes and marking systems

  摘要：

  本发明涉及单取代和双取代的苯基和/或杂环基取代的苯并咪唑酮、邻苯二酰亚胺、吡啶并吡嗪酮和吡咯并吡啶酮，用作着色物质，特别是在电致变色记录系统中，其通过单取代或双取代的苯并苯酮或呋喃吡啶酮与取代或未取代的肼相互作用制备而成。

  公开号：

  US04539579A1

文献信息

• 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。
• 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] 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。
• [EN] RED THERMOCHROMIC DYES AND THEIR INK COMPOSITIONS<br/>[FR] COLORANTS THERMOCHROMIQUES ROUGES ET COMPOSITIONS D'ENCRE CORRESPONDANTES
  申请人：CHROMATIC TECH INC

  公开号：WO2015048536A1

  公开（公告）日：2015-04-02

  A red leuco dye demonstrates unusually good thermal and photo stability. The red dye may be used with developers and wax carries for microencapsulation to form thermochromic pigments for use in inks, coatings and the like. This pigment is particularly desirable for use in metal-deco coatings, such as those used in aluminum cans in high beverage canning operations.

  一种红色白色还原染料表现出非常好的热稳定性和光稳定性。该红色染料可与开发剂和蜡携带剂一起用于微囊化，形成热致变色颜料，用于油墨、涂料等。这种颜料特别适用于金属装饰涂层，例如高饮料罐装操作中使用的铝罐。