[closo-1-CB9H8-1-COOMe-10-(4-C3H7C5H9S)] | 1334999-55-1

• 英文名称: [closo-1-CB9H8-1-COOMe-10-(4-C3H7C5H9S)]
• CAS: 1334999-55-1
• 化学式: C₁₁H₂₇B₉O₂S
• 分子量: 320.699
• InChiKey: PDDMYODBODZWTI-KTEAGAGISA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  甲醇 、 [closo-1-CB9H8-1-COOH-10-(4-C3H7C5H9S)] 在 (COCl)2 、 DMF 作用下， 以 甲醇 为溶剂， 以58%的产率得到[closo-1-CB9H8-1-COOMe-10-(4-C3H7C5H9S)]
  参考文献：
  名称：

  The preparation of [closo-1-CB9H8-1-COOH-10-(4-C3H7C5H9S)] as intermediate to polar liquid crystals

  摘要：

  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.

  DOI：

  10.1016/j.poly.2011.06.022