4-[1''-(1'',2''-o-dicarba-closo-dodecacarboranyl)]benzaldehyde | 133385-93-0

• 英文名称: 4-[1''-(1'',2''-o-dicarba-closo-dodecacarboranyl)]benzaldehyde
• 英文别名: p-(o-carboran-1-yl)benzaldehyde
• CAS: 133385-93-0
• 化学式: C₉H₁₆B₁₀O
• 分子量: 248.335
• InChiKey: HSVQIDJDAITPKA-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

• 作为反应物：
  描述：

  4-[1''-(1'',2''-o-dicarba-closo-dodecacarboranyl)]benzaldehyde 、 N,N’-二羟基-2,3-二甲基-2,3-丁二胺 在 NaIO₄ 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 生成 2-[4'-[1''-(1'',2''-o-dicarba-closo-dodecacarboranyl)]phenyl]4,4,5,5-tetramethylimidazolin-2-yl-1-oxyl-3-oxide
  参考文献：
  名称：

  Synthesis, Structure, and Magnetic Property of Organic-radical Labeled Carborane

  摘要：

  合成了含有硝基硝基氧基团的碳硼烷衍生物，并对其进行了晶体学和磁性表征。 X射线结构分析表明，这些分子以头尾相连的二聚体形式结晶。观察到二聚体内铁磁相互作用 (J/kB = +4.26(2) K)。

  DOI：

  10.1246/cl.2004.1460
• 作为产物：
  描述：

  1-(C6H4)CH3-1,2-dicarba-closo-dodecaborane 、 溴 以 四氯化碳 为溶剂， 以77%的产率得到1-{p-(alpha-bromo)tolyl}-1,2-dicarba-closo-dodecaborane
  参考文献：
  名称：

  Synthesis of Carboranyl Amino Acids, Hydantoins, and Barbiturates

  摘要：

  The syntheses of three novel boronated hydantoins, 5-(o-carboran-1-ylmethyl)hydantoin, 14, the tetraphenylphosphonium salt of 7-(hydantoin-5-ylmethyl)dodecahydro-7, 8-dicarba-nido-undecaborate, 15, 5-(o-carboran-1-ylmethyl)-2-thiohydantoin, 16, and two new barbiturates, 5,5-bis(but-2-ynyl)barbiturate, 18, and 5,5-bis[(2-methyl-o-carboran-1-yl)methyl]barbiturate, 20, are described. Hydantoins 14-16 were synthesized from o-carboranylalanine (Car, 13). The detailed syntheses of Car and two other carborane-containing amino acids, O-(o-carboran-1-ylmethyl)tyrosine (CBT, 5a) and p-(o-carboran-1-yl)phenylalanine (CBPA, 5b), presented earlier as a communication,(16) are also described. Hydantoin 14 and barbiturates 18 and 20 were tested for their potential anticonvulsant activity. Initial qualitative screening showed moderate activities for hydantoin 14 and barbiturate 18. Barbiturate 20 had no activity. Compound 14 appeared to be nontoxic at doses of 300 mg/kg (mice, ip) and 50 mg/kg (rats, oral). However, 18 was very toxic under similar conditions.

  DOI：

  10.1021/ic9511229