(2,3,6-trimethylbenzyl)triphenylphosphonium bromide | 54756-73-9

• 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: (2,3,6-trimethylbenzyl)triphenylphosphonium bromide
• 英文别名: 2,3,6-Trimethyl-benzyl-triphenylphosphoniumbromid；Triphenyl-[(2,3,6-trimethylphenyl)methyl]phosphanium;bromide
• CAS: 54756-73-9
• 化学式: Br*C₂₈H₂₈P
• 分子量: 475.408
• InChiKey: WYZYGVAFHUWQRX-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.11
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (2,3,6-trimethylbenzyl)triphenylphosphonium bromide 在 platinum(IV) oxide sodium hydroxide 、 正丁基锂 、 氢气 作用下， 生成 Chlorobactane
  参考文献：
  名称：

  Novel aromatic carotenoid derivatives from sulfur photosynthetic bacteria in sediments

  摘要：

  Novel aromatic carotenoid derivatives 7 and 8 have been identified by synthesis of reference compounds in a H-2/PtO2-hydrogenated fraction from the organic extract of a lake sediment (lake Cadagno, Switzerland). They derive from unreported carotenoids presumably biosynthesized by purple sulfur photosynthetic bacteria (Chromatiaceae) and represent potential biomarkers to establish the occurrence of photic zone anoxia in ancient ecosystems. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)10235-0
• 作为产物：
  描述：

  2,3,6-三甲基苯甲醛 在 lithium aluminium tetrahydride 作用下， 生成 (2,3,6-trimethylbenzyl)triphenylphosphonium bromide
  参考文献：
  名称：

  1079.类胡萝卜素和相关化合物。第十部分。烯丙三烯，异烯丙三烯，肾上腺嘌呤和其他芳基多烯的合成

  摘要：

  DOI：

  10.1039/jr9630005637

文献信息

• Partial synthesis of aromatic carotenoids, tedanin, agelaxanthin a, tethyatene, and renieratene
  作者：Akira Shimada、Yoichiro Ezaki、Junji Inanaga、Tsutomu Katsuki、Masaru Yamaguchi

  DOI：10.1016/0040-4039(81)80148-7

  日期：1981.1

  Aromatic carotenoids, tedanin, agelaxanthin A, and tethyatene were synthesized from 0- acetyl-6-citraurin derived from natural zeaxanthin, and tethyatene was further transformed into renieratene as the first example of aromatization of an alicyclic ring in carotenoids.

  从天然玉米黄质衍生的0-乙酰基-6-柠檬黄素合成了芳香类胡萝卜素，泰丹宁，阿克拉黄素A和邻苯二甲酸乙二酯，作为类胡萝卜素中脂环族环芳构化的第一个实例，邻苯二甲酸乙二酯被进一步转化为间苯二酚。
• Delocalized Carotenoid Cations in Relation to the Soliton Model
  作者：Bjart Frode Lutnaes、Geir Kildahl-Andersen、Jostein Krane、Synnøve Liaaen-Jensen

  DOI：10.1021/ja0492541

  日期：2004.7.1

  A series of charge-delocalized carotenoid mono- and dications have been prepared by treatment of selected carotenoids with Bronsted and Lewis acids. The detailed structures of the carbocations were established by NMR studies in the temperature range from -10 to -20 degreesC. The general strategy for structure elucidation by NMR of several cationic components in a mixture is outlined. Bond type and regions of bond inversion were established, as well as the charge distribution, which was determined from the difference in C-13 chemical shift at each carbon. This method gave a more accurate estimate for the partial charges than by using the Spiesecke-Schneider relationship. The resulting charge distribution was used as models for the structure of charged solitons. These carotenoid cations have the most delocalized charge so far determined, and the monocations represent the first experimental structure determination of positively charged solitons. The soliton width determined here is in good agreement with the results of previous AM1 calculations.
• Bonnett,R. et al., Acta Chemica Scandinavica (1947), 1964, vol. 18, p. 1739 - 1744
  作者：Bonnett,R. et al.

  DOI：——

  日期：——
• US4105681A
  申请人：——

  公开号：US4105681A

  公开（公告）日：1978-08-08
• US4215215A
  申请人：——

  公开号：US4215215A

  公开（公告）日：1980-07-29