1-(C2H5O(O)C)2(CH3(O)CHN)C(CH2)4S-1,2-C2B10H11 | 1431722-99-4

• 英文名称: 1-(C2H5O(O)C)2(CH3(O)CHN)C(CH2)4S-1,2-C2B10H11
• 英文别名: 1-(C₂H₅O(O)C)₂(CH₃(O)CHN)C(CH₂)₄S-1,2-C₂B₁₀H₁₁
• CAS: 1431722-99-4
• 化学式: C₁₅H₃₃B₁₀NO₅S
• 分子量: 447.607
• InChiKey: ALTMVDRLZLUYNT-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：
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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：

  盐酸 、 1-(C2H5O(O)C)2(CH3(O)CHN)C(CH2)4S-1,2-C2B10H11 在 溶剂黄146 作用下， 以 水 为溶剂， 反应 15.0h， 以87%的产率得到1-НООС(NH2)CH(СН2)4S-1,2-C2B10H11*HCl
  参考文献：
  名称：

  Synthesis of new carborane-based amino acids

  摘要：

  A series of new boron-containing amino acids 1-HOOCCH(NH2)(CH2)(n)S-1,2-C2B10H11 (n = 4-6) was prepared by alkylation of 1-mercapto-ortho-carborane with omega-bromoalkylacetamido diethylmalonates followed by acid hydrolysis and decarboxylation. Mild deboronation of the c/oso-carborane cage with CsF gives cesium salts of the corresponding nido-carborane based amino acids Cs[7-HOOccH(NH2)(CH2)(n) S-7,8-C(2)B9H(l1)] d (n = 4-6). The compounds synthesized can be used in radionuclide diagnostics and boron neutron capture therapy of cancer(C) . 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.02.076
• 作为产物：
  描述：

  1-mercapto-1,2-dicarba-closo-carborane triethylammonium salt 、 ethyl 2-acetamido-6-bromo-2-carbethoxyhexanoate 以 乙醇 为溶剂， 反应 15.0h， 以68%的产率得到1-(C2H5O(O)C)2(CH3(O)CHN)C(CH2)4S-1,2-C2B10H11
  参考文献：
  名称：

  Synthesis of new carborane-based amino acids

  摘要：

  A series of new boron-containing amino acids 1-HOOCCH(NH2)(CH2)(n)S-1,2-C2B10H11 (n = 4-6) was prepared by alkylation of 1-mercapto-ortho-carborane with omega-bromoalkylacetamido diethylmalonates followed by acid hydrolysis and decarboxylation. Mild deboronation of the c/oso-carborane cage with CsF gives cesium salts of the corresponding nido-carborane based amino acids Cs[7-HOOccH(NH2)(CH2)(n) S-7,8-C(2)B9H(l1)] d (n = 4-6). The compounds synthesized can be used in radionuclide diagnostics and boron neutron capture therapy of cancer(C) . 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.02.076