2-aminoethyl-m-(trimethylsilyl)benzene | 5112-60-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-aminoethyl-m-(trimethylsilyl)benzene
• 英文别名: m-trimethylsilylphenylethylamine；m-(CH3)3SiC6H4(CH2)2NH2；2-(3-Trimethylsilyl-phenyl)-aethylamin；2-(3-Trimethylsilylphenyl)ethanamine
• CAS: 5112-60-7
• 化学式: C₁₁H₁₉NSi
• 分子量: 193.364
• InChiKey: KTHWVSJIQZHQHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.73
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  [RuCl₂(η⁶-BzOEt)]₂ 、 2-aminoethyl-m-(trimethylsilyl)benzene 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and Structure of Novel (η¹:η⁶-Aminoalkylarene)Ru^IIComplexes

  摘要：

  通过分子内芳香烃置换反应，从 RuCl2(η6-PhCO2C2H5)(aminoalkylarene-κ-N) 复合物合成了一系列单核系链复合物 RuCl2(η1:η6-氨基烷基)，其中η6-烯基和配位的原胺基通过合适的脂肪族碳链连接。

  DOI：

  10.1246/cl.2009.98
• 作为产物：
  描述：

  m-trimethylsilylbenzyl cyanide 在 sodium tetrahydroborate 、 氯化锆(IV) 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以50%的产率得到2-aminoethyl-m-(trimethylsilyl)benzene
  参考文献：
  名称：

  Studies on the Synthesis and Biological Properties of Non-Carrier-Added [¹²⁵I and ¹³¹I]-Labeled Arylalkylidenebisphosphonates:  Potent Bone-Seekers for Diagnosis and Therapy of Malignant Osseous Lesions

  摘要：

  Arylalkylidenebisphosphonates labeled with nca [I-125 or I-131] have been synthesized and their biological function investigated. The label was attached to the aromatic group in high yield and under mild conditions by means of iododesilylation. The bone affinities of the radioactive compounds were investigated in normal Balb/C mice. The compound 1-hydroxy(m-iodo[I-125,I-131]- phenylethylidene)-1,1-bisphosphonate was found to possess superior bone affinity compared to others, and its in vivo deiodination was insignificant. The uptake in femur 24h after injection was 850 +/- 265% and 986 +/- 118% of injected dose per gram tissue times gram body weight in mice and rats, respectively. The therapeutic potential of the compound was investigated in two tumor models in athymic (nude) rats, one model for mixed lytic/sclerotic metastatic bonelesions originating from breast cancer and the other model simulating osseous osteosarcoma. The effects in these models compare favorably to those observed for established treatment modalities. The experiments demonstrate that radioiodinated bisphosphonates may have a potential for diagnosis and therapy of malignant osseous lesions.

  DOI：

  10.1021/jm021107v