[closo-1-CB9H8-1-COOH-10-(4-C3H7C5H9S)] | 1311310-07-2

• 英文名称: [closo-1-CB9H8-1-COOH-10-(4-C3H7C5H9S)]
• CAS: 1311310-07-2
• 化学式: C₁₀H₂₅B₉O₂S
• 分子量: 306.672
• InChiKey: FJVHGSIPHKQSLH-GGZGATTDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [closo-1-CB9H8-1-COOH-10-(4-C3H7C5H9S)] 在 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  Investigation of high Δεderivatives of the [closo-1-CB₉H₁₀]⁻anion for liquid crystal display applications

  摘要：

  两系列硫铵咪唑离子化合物，作为高Δε添加剂，用于向列相体系中的[closo-1-CB₉H₁₀]−阴离子。

  DOI：

  10.1039/c4tc00230j
• 作为产物：
  描述：

  [closo-1-CB9H8-1-COOMe-10-(4-C3H7C5H9S)] 在 盐酸 作用下， 以 甲醇 为溶剂， 生成 [closo-1-CB9H8-1-COOH-10-(4-C3H7C5H9S)]
  参考文献：
  名称：

  Investigation of high Δεderivatives of the [closo-1-CB₉H₁₀]⁻anion for liquid crystal display applications

  摘要：

  两系列硫铵咪唑离子化合物，作为高Δε添加剂，用于向列相体系中的[closo-1-CB₉H₁₀]−阴离子。

  DOI：

  10.1039/c4tc00230j

文献信息

• Polar derivatives of [<i>closo</i>-1-CB₉H₁₀]⁻and [<i>closo</i>-1-CB₁₁H₁₂]⁻anions as high Δ<i>ε</i>additives to a nematic host: a comparison of the CH₂CH₂and COO linking groups
  作者：Rafał Jakubowski、Jacek Pecyna、Muhammad O. Ali、Anna Pietrzak、Andrienne C. Friedli、Piotr Kaszyński

  DOI：10.1039/d1dt00211b

  日期：——

  Liquid crystalline pyridinium zwitterions of [closo-1-CB₉H₁₀]⁻perform better as polar potential components of LCD materials than the sulfonium or [closo-1-CB₁₁H₁₂]⁻analogs on the basis of solubility and Maier–Meier analysis.

  液晶嘧啶偏二阳离子[closo-1-CB₉H₁₀]⁻作为LCD材料的极性势组分，比磺酸盐或[closo-1-CB₁₁H₁₂]⁻类似物在溶解性和Maier-Meier分析的基础上表现更好。
• The preparation of [closo-1-CB9H8-1-COOH-10-(4-C3H7C5H9S)] as intermediate to polar liquid crystals
  作者：Jacek Pecyna、Richard P. Denicola、Bryan Ringstrand、Aleksandra Jankowiak、Piotr Kaszynski

  DOI：10.1016/j.poly.2011.06.022

  日期：2011.9

  The preparation of iodo acid [closo-1-CB9H8-1-COOH-10-I](-) (1) is optimized and scaled from 1 to 40 g of B10H14. The improved preparation of the [arachno-6-CB9H13-6-COOH](-) (5) uses four times smaller volume and can be run conveniently in up to 40 g scale in a 3-L vessel. The optimized oxidation of 5 to [closo-2-CB9H9-2-COOH](-) (4) requires less oxidant, 12 times smaller volume, and significantly shorter reaction time. The overall yields of the iodo acid 1 as the [NMe4](+) salt are typically 8-10% (10-12 g) for 40 g of B10H14. The iodo acid 1 was transformed to amino acid 8, then to dinitrogen acid 10, and finally to sulfonium acid 2[3] in overall yield of about 13%. The search for a more efficient phosphine ligand for the Pd-catalyzed amination process was not fruitful. Three routes to the sulfonium acid 2[n] were investigated, and the best yield of about 47% was obtained for Cs2CO3-assisted cycloalkylation. Liquid crystalline ester of acid 2[3] and 4-butoxyphenol was prepared and investigated. (C) 2011 Elsevier Ltd. All rights reserved.