1,2,3,4,5,6-六甲基环三硅氮烷 | 2587-46-4

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 中文名称: 1,2,3,4,5,6-六甲基环三硅氮烷
• 英文名称: 1,2,3,4,5,6-hexamethylcyclotrisilazane
• 英文别名: hexamethylcyclotrisilazane；1,2,3,4,5,6-Hexamethyl-cyclotrisilazan；1,2,3,4,5,6-Hexamethyl-1,3,5,2,4,6-triazatrisilinane
• CAS: 2587-46-4
• 化学式: C₆H₂₁N₃Si₃
• mdl: MFCD00054845
• 分子量: 219.509
• InChiKey: HBNWIPMCQKVDDD-UHFFFAOYSA-N

物化性质

• 沸点：
  56°C/5mmHg
• 密度：
  0.929

计算性质

• 辛醇/水分配系数(LogP)：
  -1.45
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  9.7
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• TSCA：
  No

反应信息

• 作为反应物：
  描述：

  巯丙基甲基二甲氧基硅烷 、 1,2,3,4,5,6-六甲基环三硅氮烷 在 RhCl(PPh₃)3 作用下， 以 苯 为溶剂， 反应 2.0h， 以100%的产率得到2,4,6-tris-[3-(dimethoxy-methyl-silanyl)-propylsulfanyl]-1,2,3,4,5,6-hexamethyl-[1,3,5,2,4,6]triazatrisilinane
  参考文献：
  名称：

  Dehydrogenative condensation of SiH and SH bonds. A metal-catalyzed protocol to stable thiopolysiloxanes

  摘要：

  Dehydrocoupling of polyhydrosiloxanes with thiols proceeded smoothly in the presence of Wilkinson's catalyst to furnish polythioethers in high yields under mild conditions. The process is free of rearrangement and crosslinking reactions. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)02260-1
• 作为产物：
  描述：

  甲基二氯硅烷 、 甲胺 以 苯 为溶剂， 生成 1,2,3,4,5,6-六甲基环三硅氮烷
  参考文献：
  名称：

  Reaction of dialkyldichloro- and alkyldichloro-silanes with methylamine

  摘要：

  DOI：

  10.1007/bf00921352

文献信息

• Bis(chloromethylsilyl)amine and bis(chloromethylsilyl)methylamine; preparation, reactivity and spectroscopic studies of their stereoisomers and conformers ‡
  作者：Holger Fleischer、Donald C. McKean、Colin R. Pulham、Michael Bühl

  DOI：10.1039/a708220g

  日期：——

  The compounds NH(SiHMeCl)2 1 and NMe(SiHMeCl)2 2 have been prepared by treating SiHMeCl2 with CaCl2·8NH3 and NH2Me respectively. Each was characterised by elemental analysis, mass spectrometry, NMR and IR spectroscopy. Dipole moments were also measured. The NMR spectra indicate that both compounds form 1∶1 mixtures of the rac and meso diastereomers, their abundances corresponding to a statistically controlled synthetic pathway. The NMR and mass spectra also show that 1,5-dichloro-1,2,3,4,5-pentamethyltrisilazane, SiHMe[NMe(SiHMeCl)]2 3, which is formed as a side product in the synthesis of 2, also consists of two diastereomers. Variable-temperature 1H NMR spectra of NH(SiHMeCl)2 indicate participation of H(N) in hydrogen bonding. The compound is decomposed by heat and reacts with pyridine to form NH4Cl, SiHMeCl2 and polysilazanes, whereas NMe(SiHMeCl)2 shows only slight decomposition up to 80 °C and does not react with pyridine. Infrared spectra in the ν(SiH) region are interpreted in terms of the results of ab initio calculations of frequency, intensity and conformer abundance. The two bands near 2200 cm–1 in the spectrum of 2 have their origin in two effects: different orientations of the Si–H bonds relative to the Si–N–Si plane in several conformers and an unprecedented strong dipole–dipole coupling between the two Si–H bond stretching motions in situations where the bonds are roughly parallel. The absence of such an observed splitting for 1 is likely to be due in part to signal averaging during a free internal rotation. Significant couplings are also calculated to occur between Si–Cl bond-stretching motions, whose source must be different from that for the Si–H bond stretches.

  分别用CaCl2·8NH3和NH2Me处理SiHMeCl2，制备了化合物NH(SiHMeCl)2 1 和NMe(SiHMeCl)2 2 。每一种都通过元素分析、质谱、核磁共振和红外光谱进行了表征。还测量了偶极矩。 NMR 谱表明，两种化合物均形成外消旋和内消旋非对映异构体的 1→1 混合物，它们的丰度对应于统计控制的合成途径。 NMR和质谱还表明，1,5-二氯-1,2,3,4,5-五甲基三硅氮烷，SiHMe[NMe(SiHMeCl)]2 3，它是在2的合成中作为副产物形成的，也由两种非对映异构体组成。 NH(SiHMeCl)2 的变温 1H NMR 谱表明 H(N) 参与氢键结合。该化合物受热分解，与吡啶反应生成NH4Cl、SiHMeCl2和聚硅氮烷，而NMe(SiHMeCl)2在80℃以下仅表现出轻微分解，并且不与吡啶反应。 Δ(SiH) 区域的红外光谱根据频率、强度和构象异构体丰度的从头计算结果进行解释。 2 的光谱中 2200 cm-1 附近的两个谱带源于两种效应：在几个构象异构体中 Si-H 键相对于 Si-N-Si 平面的不同方向，以及前所未有的强偶极子。在键大致平行的情况下，两个 Si–H 键拉伸运动之间的偶极耦合。没有观察到 1 的这种分裂可能部分是由于自由内旋转期间的信号平均。还计算出 Si–Cl 键拉伸运动之间发生了显着的耦合，其来源必须与 Si–H 键拉伸运动不同。
• [EN] FUNCTIONALIZED CYCLOSILAZANES AS PRECURSORS FOR HIGH GROWTH RATE SILICON-CONTAINING FILMS<br/>[FR] CYCLOSILAZANES FONCTIONNALISÉS UTILISÉS EN TANT QUE PRÉCURSEURS POUR DES FILMS CONTENANT DU SILICIUM À TAUX DE CROISSANCE ÉLEVÉ
  申请人：VERSUM MAT US LLC

  公开号：WO2018217877A1

  公开（公告）日：2018-11-29

  Described herein are functionalized cyclosilazane precursor compounds and compositions and methods comprising same to deposit a silicon-containing film such as, without limitation, silicon oxide, silicon nitride, silicon oxynitride, silicon carbonitride, silicon oxycarbonitride, or carbon-doped silicon oxide via a thermal atomic layer deposition (ALD) or plasma enhanced atomic layer deposition (PEALD) process, or a combination thereof.

  本文描述了功能化的环状硅氮烷前体化合物和包含它们的组合物和方法，以通过热原子层沉积(ALD)或等离子增强原子层沉积(PEALD)过程，或两者的组合，沉积含硅膜，例如，但不限于硅氧化物、硅氮化物、硅氧氮化物、硅碳氮化物、硅氧碳氮化物或掺碳硅氧化物。
• ——
  作者：ARKLES B. C.

  DOI：——

  日期：——
• Reaction of dialkyldichloro- and alkyldichloro-silanes with methylamine
  作者：E. A. Semenova、D. Ya. Zhinkin、K. A. Andrianov

  DOI：10.1007/bf00921352

  日期：1962.11
• Dehydrogenative condensation of SiH and SH bonds. A metal-catalyzed protocol to stable thiopolysiloxanes
  作者：Bhanu P.S Chauhan、Philip Boudjouk

  DOI：10.1016/s0040-4039(99)02260-1

  日期：2000.2

  Dehydrocoupling of polyhydrosiloxanes with thiols proceeded smoothly in the presence of Wilkinson's catalyst to furnish polythioethers in high yields under mild conditions. The process is free of rearrangement and crosslinking reactions. (C) 2000 Elsevier Science Ltd. All rights reserved.