2,7-di-tert-butyl-4,5-bis(chloromethyl)-9,9-dimethyl-9H-xanthene | 314754-57-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 2,7-di-tert-butyl-4,5-bis(chloromethyl)-9,9-dimethyl-9H-xanthene
• 英文别名: 2,7-di-tert-butyl-4,5-bis(chloromethyl)-9,9-dimethylxanthene；2,7-Ditert-butyl-4,5-bis(chloromethyl)-9,9-dimethylxanthene
• CAS: 314754-57-9
• 化学式: C₂₅H₃₂Cl₂O
• 分子量: 419.434
• InChiKey: NZPFPWBJTFYFKX-UHFFFAOYSA-N

物化性质

• 沸点：
  444.9±45.0 °C(Predicted)
• 密度：
  1.091±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,7-di-tert-butyl-4,5-bis(chloromethyl)-9,9-dimethyl-9H-xanthene 在 15-冠醚-5 、 sodium hydride 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 22.0h， 生成 2,7-di-tert-butyl-9,9-dimethyl-4-(2,3,4,6-tetra-O-benzyl-β-D-glucopranosylthio)methyl-5-(methyl 2,3,6-tri-O-benzyl-α-D-glucopyranosid-4-yloxy)methylxanthene
  参考文献：
  名称：

  Investigations on Leaving Group Based Intra- versus Intermolecular Glycoside Bond Formation

  摘要：

  DOI：

  10.1002/1099-0690(200011)2000:21<3527::aid-ejoc3527>3.3.co;2-g
• 作为产物：
  描述：

  (2,7-di-tert-butyl-5-hydroxymethyl-9,9-dimethyl-9H-xanthen-4-yl)-methanol 在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以91%的产率得到2,7-di-tert-butyl-4,5-bis(chloromethyl)-9,9-dimethyl-9H-xanthene
  参考文献：
  名称：

  Investigations on Leaving Group Based Intra- versus Intermolecular Glycoside Bond Formation

  摘要：

  DOI：

  10.1002/1099-0690(200011)2000:21<3527::aid-ejoc3527>3.3.co;2-g

文献信息

• Flexible dinucleating N,N,N-tridentate ligands based on a xanthene scaffold
  作者：Tanya Tan、Carolina Gimbert-Suriñach、Mohan Bhadbhade、Stephen B. Colbran

  DOI：10.1016/j.ica.2012.12.040

  日期：2013.4

  namely Williamson ether synthesis employing the 4,5-bis(chloromethyl) derivative of the xanthene and a phenol-substituted ligand donor, is demonstrated by the preparations of bis(terpyridine)xanthene L 1 and the bis(di(2-pyridylmethyl)amine)xanthene L 2 in good yields. The reaction of L 1 with [Pd(PhCN) 2 Cl 2 ] afforded the coordination complexes [L 1 (PdCl) 2 ][PF 6 ] 2 ( 4 [PF 6 ] 2 ) and [L 1 (PdCl)][PF

  摘要一种基于2,7-二叔丁基-9,9-二甲基-9H-an吨骨架的柔性对位配体的通用途径，即使用the吨的4,5-双（氯甲基）衍生物进行威廉姆森醚合成通过双（叔吡啶）x吨L 1和双（二（2-吡啶基甲基）胺）x吨L 2的制备证明了苯酚取代的配体供体。L 1与[Pd（PhCN）2 Cl 2]的反应提供了配位化合物[L 1（PdCl）2] [PF 6] 2（4 [PF 6] 2）和[L 1（PdCl）] [PF 6]（5 [PF 6]）。确定了L 1和5 [PF 6]·溶剂化物的X射线晶体结构，揭示了三联吡啶环与分子内C–H…π-苯环相互作用之间的分子内和分子间错位面对面堆积。
• Interfacial halogen bonding probed using force spectroscopy
  作者：Meital Boterashvili、Tanya Shirman、Sidney R. Cohen、Guennadi Evmenenko、Pulak Dutta、Petr Milko、Gregory Leitus、Michal Lahav、Milko E. van der Boom

  DOI：10.1039/c3cc40378e

  日期：——

  Halogen bonding between complementary organic monolayers was directly observed in an organic environment using force spectroscopy. This non-covalent interaction is significantly affected by the nature of the organic media. We also demonstrated the effect of lateral packing interactions on the optical properties of the monolayers.

  在有机环境中，利用力谱仪直接观察到了互补有机单层之间的卤素键。这种非共价相互作用受有机介质性质的影响很大。我们还证明了横向堆积相互作用对单层光学特性的影响。
• Excimer emission and energy transfer in cofacial boradiazaindacene (BODIPY) dimers built on a xanthene scaffold
  作者：Neslihan Saki、Tarik Dinc、Engin U. Akkaya

  DOI：10.1016/j.tet.2005.12.021

  日期：2006.3

  Using a rigid xanthene scaffold, a series of boradiazaindacene derivatives were synthesized. In some of these compounds, two boradiazaindacene derivatives were placed cofacially, resulting in significant inter-chromophoric interactions, including excimer emission. A simple modification of boradiazaindacene structure leads to formation of an ICT dye, which has distinct spectral properties. Energy transfer between two BODIPY dyes was demonstrated as well. In addition, the spectral properties of ICT dye can be modulated by the addition of the acid leading to an acid switchable, energy transfer cassette. (c) 2005 Elsevier Ltd. All rights reserved.
• Investigations on Leaving Group Based Intra- versus Intermolecular Glycoside Bond Formation
  作者：Götz Scheffler、Michael E. Behrendt、Richard R. Schmidt

  DOI：10.1002/1099-0690(200011)2000:21<3527::aid-ejoc3527>3.3.co;2-g

  日期：2000.11