N-(3-([heptaisobutyl]octasilsesquioxane)propyl)methanamine | 1228187-76-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-(3-([heptaisobutyl]octasilsesquioxane)propyl)methanamine
• 英文别名: 3-[3,5,7,9,11,13,15-heptakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]-N-methylpropan-1-amine
• CAS: 1228187-76-5
• 化学式: C₃₂H₇₃NO₁₂Si₈
• 分子量: 888.615
• InChiKey: FPQBBHCNQPQFQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.97
• 重原子数：
  53
• 可旋转键数：
  18
• 环数：
  6.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  123
• 氢给体数：
  1
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  1,3,5,7,9,11,14-heptaisobutyltricyclo[7.3.3.15,11]heptasiloxane-endo-3,7,14-triol 、 N-甲基-3-氨丙基三甲氧基硅烷 在 三乙胺 作用下， 以 丙酮 为溶剂， 反应 48.0h， 以64.7%的产率得到N-(3-([heptaisobutyl]octasilsesquioxane)propyl)methanamine
  参考文献：
  名称：

  硅酸盐/硅醇盐及其水解聚硅醇硅氧烷在多面体低聚倍半硅氧烷 (POSS) 中的合成应用

  摘要：

  Several types of silicate and their hydrolyzed polysilanols were applied to the synthesis of polyhedral oligomeric silsesquioxanes (POSSs). Silicate cubic octasilicate [Si8O20](8-) 5 was silylated with trimethylchlorosilane to yield the incompletely trimethylsilylated cubic octasilicate [Si8O20](SiMe3)(7)H 1b bearing one silanol in addition to the totally trimethylsilylated derivative [Si8O20](SiMe3)(8) 1a. Further silylation of the monosilanol 1b with dimethylchlorosilane and ,-hydridochlorooctamethyltetrasiloxane resulted in the formation of POSSs 1c,d, which have hydrosilyl groups as elongated siloxane side chain. Attempts to generate an amino-substituted POSS via chloromethyldimethylsilylation of silicate 5 followed by reaction with amine as well as lithium amide failed. Amino-substitution was accomplished via the use of amine as a catalyst for the capping reaction of incompletely condensed trisilanol 10b with -aminopropyltrimethoxysilane affording mono amino-functionalized POSSs 2b,c in moderate yields. Another group of silanolates 7-9 was hydrolyzed with AcOH or HCl to give the corresponding cyclic polysilanol siloxanes 11a-c, respectively. Amine-catalyzed condensation of several of these polysilanol siloxanes 11a-c resulted in the formation of POSSs in high yields depending on the structure of substrates.

  DOI：

  10.1002/hc.21373