1-bromo-7-tert-butyl-3-methylpyrene | 189371-41-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 1-bromo-7-tert-butyl-3-methylpyrene
• 英文别名: 7-tert-butyl-3-methyl-1-bromopyrene；1-bromo-7-t-butyl-3-methylpyrene
• CAS: 189371-41-3
• 化学式: C₂₁H₁₉Br
• 分子量: 351.286
• InChiKey: RGDOZYQKIVMVLZ-UHFFFAOYSA-N

物化性质

• 熔点：
  256-258 °C(Solv: hexane (110-54-3); benzene (71-43-2))
• 沸点：
  466.2±14.0 °C(Predicted)
• 密度：
  1.345±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  甲醇 、 1-bromo-7-tert-butyl-3-methylpyrene 在 copper(l) iodide 、 sodium 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 36.0h， 以69%的产率得到7-tert-butyl-1-methoxy-3-methylpyrene
  参考文献：
  名称：

  ELECTROPHILIC SUBSTITUTION OF 7-tert-BUTYL-1-SUBSTITUTED PYRENES. A NEW ROUTE FOR THE PREPARATION OF 1,3-DISUBSTITUTED PYRENES

  摘要：

  DOI：

  10.1080/00304949709355205
• 作为产物：
  描述：

  1-芘甲醛 在 氢氧化钾 、 三氯化铝 、 benzyltrimethylammonium tribromide 、 一水合肼 作用下， 以 甲醇 、 二氯甲烷 、 甲苯 、 二乙二醇 为溶剂， 反应 10.0h， 生成 1-bromo-7-tert-butyl-3-methylpyrene
  参考文献：
  名称：

  ELECTROPHILIC SUBSTITUTION OF 7-tert-BUTYL-1-SUBSTITUTED PYRENES. A NEW ROUTE FOR THE PREPARATION OF 1,3-DISUBSTITUTED PYRENES

  摘要：

  DOI：

  10.1080/00304949709355205

文献信息

• Light-emitting device material and light-emitting device
  申请人：Murase Seiichiro

  公开号：US20090096356A1

  公开（公告）日：2009-04-16

  A light emitting device material containing a pyrene compound of formula (1) and a light emitting device. In formula (1), R 1 to R 18 are the same or different and are selected from hydrogen, alkyl, cycloalkyl, heterocyclic, alkenyl, cycloalkenyl, alkynyl, alkoxy, alkylthio, arylether, arylthioether, aryl, heteroaryl, halogen, carbonyl, carboxyl, oxycarbonyl, carbamoyl, amino, phosphine oxide and silyl; adjacent substituents among R 1 to R 18 may be combined with each other to form a ring; n represents an integer of 1 to 3; X is —O—, —S— or —NR 19 —; R 19 is selected from hydrogen, alkyl, cycloalkyl, heterocyclic, alkenyl, cycloalkenyl, alkynyl, aryl, heteroaryl or amino; R 19 may be combined with R 11 or R 18 to form a ring; Y is a single bond, arylene or heteroarylene; and n substituents among R 1 to R 10 and any one of R 11 to R 19 are used for linkage with Y

  一种含有式（1）的芘化合物的发光器件材料和发光器件。在式（1）中，R1到R18相同或不同，可从氢、烷基、环烷基、杂环烷基、烯基、环烯基、炔基、烷氧基、烷硫基、芳基醚、芳硫醚、芳基、杂芳基、卤素、羰基、羧基、氧羰基、氨基、膦氧化物和硅基中选择；R1到R18中相邻的取代基可能结合在一起形成环；n代表1至3的整数；X为—O—、—S—或—NR19—；R19从氢、烷基、环烷基、杂环烷基、烯基、环烯基、炔基、芳基、杂芳基或氨基中选择；R19可以与R11或R18结合形成环；Y为单键、芳基或杂芳基；R1到R10中的n个取代基和R11到R19中的任意一个用于与Y连接。
• Aminoanthryl derivative-substituted pyrene compound and organic light-emitting device
  申请人：Saitoh Akihito

  公开号：US20060115678A1

  公开（公告）日：2006-06-01

  There is provided an aminoanthryl derivative-substituted pyrene compound represented by the following general formula (1). The compound is useful as a compound for an organic light-emitting device exhibiting highly pure luminescent color, and an optical output with high efficiency, high luminance, and long life.

  提供了一个由氨基蒽衍生物取代的芘化合物，其通式如下（1）。该化合物可用作有机发光器件的化合物，表现出高纯度的发光颜色，以及高效率，高亮度和长寿命的光学输出。
• FLUORENYLENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME
  申请人：SAITOH AKIHITO

  公开号：US20070155998A1

  公开（公告）日：2007-07-05

  A novel pyrenylfluorenylene compound is provided which is represented by the general formula (1):

  提供一种新型的芘基芴烯化合物，其通式表示为(1):
• LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE
  申请人：Toray Industries, Inc.

  公开号：US20140061629A1

  公开（公告）日：2014-03-06

  A light emitting device material containing a pyrene compound of general formula (1) and a light emitting device. In formula (1), R 1 to R 18 are the same or different and are selected from hydrogen, alkyl, cycloalkyl, heterocyclic, alkenyl, cycloalkenyl, alkynyl, alkoxy, alkylthio, arylether, arylthioether, aryl, heteroaryl, halogen, carbonyl, a carboxyl, oxycarbonyl, carbamoyl, amino, phosphine oxide and silyl; adjacent substituents among R 1 to R 18 may be combined with each other to form a ring; n is an integer of 1 to 3; X is —O—, —S— or —NR 19 —; R 19 is hydrogen, alkyl, cycloalkyl, heterocyclic, alkenyl, cycloalkenyl, alkynyl, aryl, heteroaryl or amino; R 19 may be combined with R 11 or R 18 to form a ring; Y is a single bond, arylene or heteroarylene; and n substituents among R 1 to R 10 and any one of R 11 to R 19 are used for linkage with Y

  一种含有通式（1）的芘化合物的发光装置材料和发光装置。在式（1）中，R1至R18相同或不同，可选择自氢、烷基、环烷基、杂环、烯基、环烯基、炔基、烷氧基、烷硫基、芳基醚、芳硫醚、芳基、杂芳基、卤素、羰基、羧基、氧羰基、氨基、磷氧化物和硅烷中；相邻的R1至R18取代基可以结合形成环；n是1到3的整数；X是—O—、—S—或—NR19—；R19是氢、烷基、环烷基、杂环、烯基、环烯基、炔基、芳基、杂芳基或氨基；R19可以与R11或R18结合形成环；Y是单键、芳基或杂芳基；R1至R10中的n个取代基和R11至R19中的任意一个取代基用于与Y连接。
• Light emitting device material and light emitting device
  申请人：Toray Industries, Inc.

  公开号：EP2463351A2

  公开（公告）日：2012-06-13

  The present invention relates to a light emitting device material containing a pyrene compound represented by the general formula (1): wherein R1 to R18 may be the same or different and represent a group selected from hydrogen, an alkyl group, a cycloalkyl group, a heterocyclic group, an alkenyl group, a cycloalkenyl group, an alkynyl group, an alkoxy group, an alkylthio group, an arylether group, an arylthioether group, an aryl group, a heteroaryl group, a halogen, a carbonyl group, a carboxyl group, an oxycarbonyl group, a carbamoyl group, an amino group, a phosphine oxide group and a silyl group; adjacent substituents among R1 to R18 may be combined with each other to form a ring; n represents an integer of 1 to 3; X represents -S-; Y represents an arylene group or a heteroarylene group; and n substituents among R1 to R10 and any one of R11 to R19 are used for linkage with Y.

  本发明涉及一种含有通式（1）代表的芘化合物的发光器件材料： 烷硫基、芳基醚基、芳基硫醚基、芳基、杂芳基、卤素、羰基、羧基、氧羰基、氨基甲酰基、氨基、氧化膦基和硅烷基；R1 至 R18 中的相邻取代基可相互结合形成一个环；n 代表 1 至 3 的整数；X 代表-S-；Y 代表芳基或杂芳基；R1 至 R10 中的 n 个取代基和 R11 至 R19 中的任一个取代基用于与 Y 连接。