1-hydrazino-12-hydroxycarbonyl-1,12-dicarba-closo-dodecaborane | 436863-29-5

• 英文名称: 1-hydrazino-12-hydroxycarbonyl-1,12-dicarba-closo-dodecaborane
• CAS: 436863-29-5
• 化学式: C₃H₁₄B₁₀N₂O₂
• 分子量: 218.266
• InChiKey: MAPZPPLHRRARHJ-UHFFFAOYSA-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

• 作为产物：
  描述：

  1-((N,N'((tert-butyloxy)carbonyl)hydrazino))-1,12-dicarba-closo-dodecaborane-12-carboxylic acid 在 triisopropylsilane 、 trifluoroacetic acid 作用下， 以 水 为溶剂， 以99%的产率得到1-hydrazino-12-hydroxycarbonyl-1,12-dicarba-closo-dodecaborane
  参考文献：
  名称：

  Synthesis, NMR, and X-ray Crystallographic Analysis of C-Hydrazino-C-Carboxycarboranes:  Versatile Ligands for the Preparation of BNCT and BNCS Agents and ^99mTc Radiopharmaceuticals

  摘要：

  Protected hydrazine derivatives of ortho-, meta-, and para-carboranes were synthesized in good to excellent yields by reacting the mono-lithio salts of the respective carboranes with di-tert-butyl azodicarboxylate (DBAD). Subsequent deprotonation of the remaining carborane CH group, followed by the addition Of CO2(g), resulted in the formation of bifunctional C-hydrazino-C carboxycarboranes in good to excellent overall yields. Crystal structures of the monosubstituted ortho-carborane, 1-[(N,N'((tert-butyloxy)carbonyl)hydrazino)]-1,2-dicarba-closo-dodecaborane (8) [a = 21.213(6) Angstrom, b = 10.498(3) Angstrom, c = 9.866(2) Angstrom, alpha = gamma = 90degrees, beta = 90.529(4)degrees] and the bifunctional paracarborane 1 -[(N,N'((tert-butyloxy)carbonyl)hyd razino)]-1,12-dicarba-c/oso-dodecaborane-12-carboxylic acid (3) [a = 12.744(10) Angstrom, b = 12.875(9) Angstrom, c = 14.767(9) Angstrom, alpha = beta = gamma = 90degrees] were obtained. Intermolecular hydrogen bonding was a dominant packing feature in both structures. The reported compounds represent a unique class of bifunctional carboranes that can be used in peptidomimetic research and as synthons to prepare novel radiopharmaceuticals and boron neutron capture therapy/boron neutron capture synovectomy (BNCT/BNCS) agents.

  DOI：

  10.1021/ic0255048