1,1,3,3,5,5,5-heptamethyl-1-trisiloxanol | 85461-52-5

• 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
• 英文名称: 1,1,3,3,5,5,5-heptamethyl-1-trisiloxanol
• 英文别名: 1,1,3,3,5,5,5-heptamethyltrisiloxane-1-ol；[Dimethyl(trimethylsilyloxy)silyl]oxy-hydroxy-dimethylsilane
• CAS: 85461-52-5
• 化学式: C₇H₂₂O₃Si₃
• 分子量: 238.506
• InChiKey: TUSCSVMLIKTNBU-UHFFFAOYSA-N

物化性质

• 沸点：
  198.2±23.0 °C(Predicted)
• 密度：
  0.911±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.25
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,1,3,3,5,5,5-heptamethyl-1-trisiloxanol 在 吡啶 、 铂(0)-1,3-二乙烯-1,1,3,3-四甲基二硅氧烷 、 palladium 10% on activated carbon 、 氢气 作用下， 以 1,4-二氧六环 、 5,5-dimethyl-1,3-cyclohexadiene 、 乙酸乙酯 、 甲苯 为溶剂， 反应 21.16h， 生成
  参考文献：
  名称：

  离散二甲基硅氧烷-乳酸双嵌段共聚低聚物的合成和自组装：Dononacontamer 及其较短的同系物

  摘要：

  大多数对嵌段共聚物相行为的理论和计算描述描述了完美和均匀聚合物的链系综。相比之下，对嵌段共聚物的实验研究总是使用具有分散分子组成的材料。尽管大多数聚合物是所谓的单分散，但它们仍然具有分子量分散性。在这里，我们描述了一系列基于低聚二甲基硅氧烷 (oDMS) 和低聚乳酸 (oLA)、具有高度不相容嵌段的双嵌段共聚低聚物的合成和性质。通过使用迭代合成方案，可以合成和表征摩尔质量高达 6901 Da、超低摩尔质量分散度 (Đ ≤ 1.00002) 和对共聚低聚物组成的独特控制的共聚低聚物。这种特定的嵌段共聚低聚物需要为 oDMS 结构开发一种新的发散策略，通过这种策略，最多 59 个 Si 原子的双和单取代 oDMS 衍生物都可用。两个模块的不兼容使得模块变得越长，最终耦合的要求就越高。这些优化的合成程序允许获得数克数量的大多数嵌段共聚低聚物，有助于详细研究嵌段共聚物相分离的下限。如 DSC、SAXS

  DOI：

  10.1021/jacs.6b00629
• 作为产物：
  描述：

  1,1,1,3,3,5,5-七甲基三硅氧烷 在 palladium 10% on activated carbon 作用下， 以 1,4-二氧六环 、 aq. phosphate buffer 为溶剂， 反应 5.0h， 以80%的产率得到1,1,3,3,5,5,5-heptamethyl-1-trisiloxanol
  参考文献：
  名称：

  用于高可溶性异靛蓝共轭聚合物的线性杂化硅氧烷基侧链

  摘要：

  合成了三种用线性杂化硅氧烷基侧链改性的异靛蓝共轭聚合物（PIID-C m -Si 7，m = 5-7）。所有聚合物在卤代烃，芳烃，醚，烷烃和酯中均显示出良好的溶解性。PIID-C 5 -Si 7，PIID-C 6 -Si 7和PIID-C 7 -Si 7的聚合物膜分别获得了0.32、0.82和1.58 cm 2 V -1 s -1的迁移率。

  DOI：

  10.1039/d0cc01497d

文献信息

• Janus Graft Block Copolymers: Design of a Polymer Architecture for Independently Tuned Nanostructures and Polymer Properties
  作者：Zi‐Hao Guo、An N. Le、Xunda Feng、Youngwoo Choo、Bingqian Liu、Danyu Wang、Zhengyi Wan、Yuwei Gu、Julia Zhao、Vince Li、Chinedum O. Osuji、Jeremiah A. Johnson、Mingjiang Zhong

  DOI：10.1002/anie.201802844

  日期：2018.7.9

  The graft‐through synthesis of Janus graft block copolymers (GBCPs) from branched macromonomers composed of various combinations of homopolymers is presented. Self‐assembly of GBCPs resulted in ordered nanostructures with ultra‐small domain sizes down to 2.8 nm (half‐pitch). The grafted architecture introduces an additional parameter, the backbone length, which enables control over the thermomechanical

  介绍了由均聚物的各种组合组成的支链大分子单体对Janus接枝嵌段共聚物（GBCP）的接枝合成。GBCP的自组装产生了有序的纳米结构，其超小畴尺寸低至2.8 nm（半节距）。接枝体系结构引入了一个额外的参数，主链长度，从而可以独立于其自组装的纳米结构而控制GBCP的热机械性能和可加工性。制备GBCP的简单合成路线以及使用多种聚合物组合的可能性有助于该技术的普遍性。
• Disproportionation of oligodimethylsiloxanols in the presence of a protic acid in dioxane
  作者：M. Cypryk、S. Rubinsztajn、J. Chojnowski

  DOI：10.1016/0022-328x(93)80039-e

  日期：1993.3

  The kinetics of the acid-catalyzed disproportionation of α,ω-dihydroxyoligodimethylsiloxanes HO[SiMe2O]nH, n = 2, 5, and their analogues having one hydroxyl function replaced by methyl Me[SiMe2O]nH, n = 2, 5, were studied in dioxane in the presence of water. The formation of the primary disproportionation products was monitored by gas-liquid chromatography. The reaction in dioxane solution can compete

  α，ω-二羟基低聚二甲基硅氧烷HO [SiMe 2 O] n H，n = 2，5及其具有一个羟基官能团的类似物被甲基Me [SiMe 2 O] n H，n取代的酸催化歧化动力学在水的存在下，在二恶烷中研究= 2、5。通过气-液色谱法监测主要歧化产物的形成。二恶烷溶液中的反应只有在水存在下才能与缩合反应竞争。对于底物，催化剂和水，它是一阶的。根据逐步机理来解释结果，该逐步机理包括速率确定末端硅氧烷单元被水裂解，然后使瞬时形成的二甲基硅烷二醇与底物缩合。建议涉及二甲基硅烷二醇中间体的拉开机理在暴露于水或水蒸气的聚二甲基硅氧烷的水解裂解中起作用。
• Practical and Selective Bio-Inspired Iron-Catalyzed Oxidation of Si–H Bonds to Diversely Functionalized Organosilanols
  作者：Song Li、Haibei Li、Chen-Ho Tung、Lei Liu

  DOI：10.1021/acscatal.2c02678

  日期：2022.8.5

  oxidant at an iron catalyst loading of 0.1 mol % is reported. The practical and highly selective oxidation exhibits good functional group tolerance, allowing effective access to diversely functionalized alkyl-, aryl-, alkynyl-, and alkoxysilanols, silanediols, as well as mono-, oligo-, and polymeric siloxanols with various substituent patterns. Late-stage gram-scale application in functional-molecule-containing

  功能化有机硅醇已在化学、材料科学和医学领域得到广泛应用。然而，结构多样的有机硅醇的实际合成仍然难以捉摸。在这里，报道了一种受生物启发的非血红素-铁催化的有机硅烷的 Si-H 键的制备氧化，以水过氧化氢作为氧化剂，在 0.1 mol% 的铁催化剂负载下制备多种功能化的有机硅醇。实用且高度选择性的氧化表现出良好的官能团耐受性，允许有效地获得各种官能化的烷基-、芳基-、炔基-和烷氧基硅烷醇、硅烷二醇，以及具有各种取代基模式的单、低聚和聚合硅氧烷醇。进一步证明了在含有功能分子的硅烷醇中的后期克级应用。
• Polycondensation and disproportionation of an oligosiloxanol in the presence of a superbase
  作者：Agnieszka Grzelka、Julian Chojnowski、Marek Cypryk、Witold Fortuniak、Peter C. Hupfield、Richard G. Taylor

  DOI：10.1016/s0022-328x(02)01650-9

  日期：2002.10

  Kinetics of reactions of model oligosiloxanols, 1,1,3,3,3-pentamethyldisiloxane-1-ol (MDH) and 1,1,3,3,5,5,5-heptamethyltrisiloxane-1-ol (MD2H), which occur in the presence of phosphazenium superbase, hexapyrrolidine-diphosphazenium hydroxide, in an acid-base inert solvent, toluene, was studied using sampling and gas chromatographic analysis method. In addition, kinetics of reactions of MDH and MD2H with trimethylsilanol (MH) was studied. In the MDH and MD2H systems the oligosiloxanol condensation competes with the oligosiloxanol disproportionation, the latter being the dominating process. The disproportionation products, i.e. MDn + 1H and MDn - 1H, n = 1, 2,... undergo analogous consecutive disproportionation and condensation reactions. The kinetic law was derived and rate parameters determined from initial rates and by computer simulation to the best agreement with experimental data. Both competing reactions, the disproportionation and the condensation, conform to the same general kinetic law being first internal order in substrate and first order in catalyst. Activation parameters of these reactions were determined. The results were interpreted in terms of a bimolecular mechanism in which nucleophilic attack of the silanolate anion directed to silicon of the silanol group causes the cleavage of one of its geminal bonds to oxygen, either the one to hydroxyl leading to condensation or the one to siloxane which leads to disproportionation. The latter is faster as the silanolate is a better leaving group compared with OH-. Moreover, in the pentacoordinate silicon transition state (or intermediate) the siloxane substituent preferentially enters the apical position, thus driving the OH substituent into the unreactive equatorial position. (C) 2002 Elsevier Science B.V. All rights reserved.
• The hydroxyl radical reaction rate constants and atmospheric reaction products of three siloxanes
  作者：Stewart J. Markgraf、J. R. Wells

  DOI：10.1002/(sici)1097-4601(1997)29:6<445::aid-kin6>3.0.co;2-u

  日期：——

  The relative rate technique has been used to measure the hydroxyl radical (OH) reaction rate constant of hexamethyldisiloxane (MM, (CH3)(3)Si-O-Si(CH3)(3)), octamethyltrisiloxane (MDM, (CH3)(3)Si-O-Si(CH3)(2)-O-Si(CH3)(3)), and decamethyltetrasiloxane (MD2M, (CH3)(3)Si-O-Si(CH3)(2)-O-Si(CH3)(2)-O-Si(CH3)(3)). Hexamethyldisiloxane, octamethyltrisiloxane, and decamethyltetrasiloxane react with OH with bimolecular rate constants of 1.32 +/- 0.05 x 10(-12) cm(3)molecule(-1)s(-1). 1.83 +/- 0.09 x 10(-12) cm(3) molecule(-1)s(-1), and 2.66 +/- 0.13 x 10(-12) cm(3)molecule(-1)s(-1), respectively. Investigation of the OH + siloxane reaction products yielded trimethylsilanol, pentamethyldisiloxanol, heptamethyltetrasiloxanol, hexamethylcyclotrisiloxane, octamethylcyclotetrasiloxane, and other compounds. Several of these products have not been reported before because these siloxanes and the proposed,reaction mechanisms yielding these products are complicated. Some unusual cyclic siloxane products were observed and their formation pathways are discussed in light of current understanding of siloxane atmospheric chemistry. (C) 1997 John Wiley C Sons, inc.