1-methyl-2-(4-chlorobutyl)-C2B10H10 | 126828-99-7

• 英文名称: 1-methyl-2-(4-chlorobutyl)-C2B10H10
• CAS: 126828-99-7
• 化学式: C₇H₂₁B₁₀Cl
• 分子量: 248.807
• InChiKey: YHKGRWJIYOUDNZ-UHFFFAOYSA-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：
  None
• sp3杂化的碳原子比例：
  None
• 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：

  1-methyl-2-(4-chlorobutyl)-C2B10H10 、 sodium iodide 以 丙酮 为溶剂， 以92%的产率得到1-methyl-2-(4-iodobutyl)-C2B10H10
  参考文献：
  名称：

  Substituted Carborane-Appended Water-Soluble Single-Wall Carbon Nanotubes:  New Approach to Boron Neutron Capture Therapy Drug Delivery

  摘要：

  Substituted C2B10 carborane cages have been successfully attached to the side walls of single-wall carbon nanotubes (SWCNTs) via nitrene cycloaddition. The decapitations of these C2B10 carborane cages, with the appended SWCNTs intact, were accomplished by the reaction with sodium hydroxide in refluxing ethanol. During base reflux, the three-membered ring formed by the nitrene and SWCNT was opened to produce water-soluble SWCNTs in which the side walls are functionalized by both substituted nido-C2B9 carborane units and ethoxide moieties. All new compounds are characterized by EA, SEM, TEM, UV, NMR, and IR spectra and chemical analyses. Selected tissue distribution studies on one of these nanotubes, {([Na+][1-Me-2-((CH2)(4)NH-)-1,2-C2B9H10][OEt])(n)(SWCNT)} (Va), show that the boron atoms are concentrated more in tumors cells than in blood and other organs, making it an attractive nanovehicle for the delivery of boron to tumor cells for an effective boron neutron capture therapy in the treatment of cancer.

  DOI：

  10.1021/ja0517116
• 作为产物：
  描述：

  1-氯-4-碘丁烷 、 1-methyl-ortho-carborane 在 正丁基锂 作用下， 以 乙醚 、 正己烷 、 苯 为溶剂， 生成 1-methyl-2-(4-chlorobutyl)-C2B10H10 、 1-methyl-2-(4-iodobutyl)-C2B10H10
  参考文献：
  名称：

  Substituted Carborane-Appended Water-Soluble Single-Wall Carbon Nanotubes:  New Approach to Boron Neutron Capture Therapy Drug Delivery

  摘要：

  Substituted C2B10 carborane cages have been successfully attached to the side walls of single-wall carbon nanotubes (SWCNTs) via nitrene cycloaddition. The decapitations of these C2B10 carborane cages, with the appended SWCNTs intact, were accomplished by the reaction with sodium hydroxide in refluxing ethanol. During base reflux, the three-membered ring formed by the nitrene and SWCNT was opened to produce water-soluble SWCNTs in which the side walls are functionalized by both substituted nido-C2B9 carborane units and ethoxide moieties. All new compounds are characterized by EA, SEM, TEM, UV, NMR, and IR spectra and chemical analyses. Selected tissue distribution studies on one of these nanotubes, {([Na+][1-Me-2-((CH2)(4)NH-)-1,2-C2B9H10][OEt])(n)(SWCNT)} (Va), show that the boron atoms are concentrated more in tumors cells than in blood and other organs, making it an attractive nanovehicle for the delivery of boron to tumor cells for an effective boron neutron capture therapy in the treatment of cancer.

  DOI：

  10.1021/ja0517116