di-tert-butylhydridosilanol | 56310-22-6

• 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: di-tert-butylhydridosilanol
• 英文别名: di-t-butylhydroxysilanol；di-t-butylhydroxysilane；di-tert-butylsilanol；Di-t-butyl siloxane；ditert-butyl(hydroxy)silane
• CAS: 56310-22-6
• 化学式: C₈H₂₀OSi
• 分子量: 160.332
• InChiKey: YSURHZMMYJSNFV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2931900090

反应信息

• 作为反应物：
  描述：

  di-tert-butylhydridosilanol 在 potassium tert-butylate 作用下， 以 叔丁醇 为溶剂， 生成 C₈H₁₈OSi^(1-)*K⁽¹⁺⁾
  参考文献：
  名称：

  E.s.r. spectroscopic observation of the radical anion of di-t-butylsilanone, Bu^t₂SiO˙^–. A new approach to the study of silanones

  摘要：

  在碱性条件下，当过氧化二叔丁基硅烷（But2SiO₂）在二叔丁基羟基硅烷（But2Si(OH)H）存在下光解时，可以观察到二叔丁基硅酮（But2SiO₂）自由基阴离子的电子自旋共振光谱。

  DOI：

  10.1039/c39870000016
• 作为产物：
  描述：

  二叔丁基氯硅烷 在 吡啶 作用下， 以 正戊烷 为溶剂， 反应 48.0h， 生成 di-tert-butylhydridosilanol
  参考文献：
  名称：

  Hindered organosilicon compounds. Synthesis and properties of di-tert-butyl-, di-tert-butylmethyl-, and tri-tert-butylsilanes

  摘要：

  DOI：

  10.1021/ja00846a037

文献信息

• Synthesis and structural characterization of scandium SALEN complexes
  作者：Christian Meermann、Peter Sirsch、Karl W. Törnroos、Reiner Anwander

  DOI：10.1039/b513370j

  日期：——

  A series of heteroleptic scandium SALEN complexes, [(SALEN)Sc(µ-Cl)]2 and (SALEN)Sc[N(SiHMe2)2] is obtained via amine elimination reactions using [Sc(NiPr2)2(µ-Cl)(THF)]2 and Sc[N(SiHMe2)2]3(THF) as metal precursors, respectively. H2SALEN ligand precursors comprising H2Salen [(1,2-ethandiyl)bis(nitrilomethylidyne)bis(2,4-di-tert-butyl)phenol], H2Salpren [(2,2-dimethylpropanediyl)bis(nitrilomethylidyne)bis(2,4-di-tert-butyl)phenol], H2Salcyc [(1R,2R)-(−)-1,2-cyclohexanediyl)bis(nitrilomethylidyne)bis(2,4-di-tert-butyl)phenol] and H2Salphen [((1S,2S)-(−)-1,2-diphenylethandiyl)bis(nitrilomethylidyne)bis(2,4-di-tert-butyl)phenol] are selected according to solubility and ligand backbone variation (“N–(R)–N” bite angle) criteria. Consideration is given to the feasibility of [Cl → NR2] and [N(SiHMe2)2 → OSiR3] secondary ligand exchange reactions. X-ray crystal structure analyses of donor-free (Salpren)Sc(NiPr2), (R,R)-(Salcyc)Sc[N(SiHMe2)2], (Salen)Sc(OSitBuPh2) and (Salphen)Sc(OSiHtBu2) reveal (i) a very short Sc–N bond distance of 2.000(3) Å, (ii) weak β(Si–H)amido–Sc agostic interactions and (iii) an exclusive intramolecularly tetradentate and intrinsically bent coordination mode of the SALEN ligands with ∠(Ph,Ph) dihedral angles and Sc–[N2O2] distances in the 124.27(9)–127.7(3)° and 0.638(1)–0.688(1) Å range, respectively.

  一系列异配体铝钪SALEN络合物[(SALEN)Sc(µ-Cl)]₂和(SALEN)Sc[N(SiHMe₂)₂]是通过利用[Sc(NiPr₂)₂(µ-Cl)]₂和Sc[N(SiHMe₂)₂]₃(THF)作为金属前驱体，经过胺消除反应获得的。H₂SALEN配体前驱体包括H₂Salen [(1,2-乙烷二基)双(氰基甲烯)双(2,4-二叔丁基)酚]、H₂Salpren [(2,2-二甲基丙烷二基)双(氰基甲烯)双(2,4-二叔丁基)酚]、H₂Salcyc [(1R,2R)-(−)-1,2-环己烷二基)双(氰基甲烯)双(2,4-二叔丁基)酚]和H₂Salphen [((1S,2S)-(−)-1,2-双苯乙烯二基)双(氰基甲烯)双(2,4-二叔丁基)酚]是根据溶解度和配体骨架变化（“N–(R)–N”咬合角）标准选择的。考虑了[Cl → NR₂]和[N(SiHMe₂)₂ → OSiR₃]的二级配体交换反应的可行性。对无供体(Salpren)Sc(NiPr₂)、(R,R)-(Salcyc)Sc[N(SiHMe₂)₂]、(Salen)Sc(OSitBuPh₂)和(Salphen)Sc(OSiHtBu₂)的X射线晶体结构分析揭示了(i) Sc–N键距离非常短，为2.000(3) Å，(ii) 弱的β(Si–H)氨基–Sc相互作用，以及(iii) SALEN配体具有独特的分子内四齿和内在弯曲的配位模式，其(Ph, Ph)二面角及Sc–[N₂O₂]距离分别在124.27(9)°至127.7(3)°和0.638(1) Å至0.688(1) Å范围内。
• Unexpected chemistry in an attempted generation of a sterically hindered silene
  作者：Thomas J. Barton、Christopher R. Tully

  DOI：10.1016/s0022-328x(00)81852-5

  日期：1979.6

  an attempt to synthesis a silene, stabilizer both electronically and by extreme steric bulk, two things of considerable interest were discovered: (1) perchlorate can function as a uniquely effective leaving group for alkylation on silicon, and (2) stable αhalosilyl carbanions can be generated through the aid of steric bulk.

  在尝试合成电子稳定剂和极端空间的硅烷稳定剂时，发现了两个令人关注的问题：（1）高氯酸盐可以作为在硅上烷基化的独特有效的离去基团，（2）稳定的α卤代甲硅烷基碳负离子可以通过空间位阻产生。
• Iridium− and Rhodium−Silanol Complexes:  Synthesis and Reactivity
  作者：Roman Goikhman、Michael Aizenberg、Linda J. W. Shimon、David Milstein

  DOI：10.1021/om0300427

  日期：2003.9.1

  synthesis have been developed. The Ir(I) complex (Et3P)2Ir(C2H4)Cl (1) oxidatively adds secondary silanols R2SiHOH (R = iPr, tBu) to yield the iridium−silanol complexes [(Et3P)2Ir(H)(Cl)(SiR2OH)] (R = iPr, 2; R = tBu, 3). The crystal structure of 2 exhibits a trigonal-bipyramidal geometry, and intermolecular Si−O−H- - -Cl hydrogen bonding is present. Deprotonation of 2 results in the highly thermodynamically

  已经开发了金属硅烷醇的合成方法。Ir（I）络合物（Et 3 P）2 Ir（C 2 H 4）Cl（1）氧化添加仲硅烷醇R 2 SiHOH（R ​​= i Pr，t Bu）得到铱-硅烷醇络合物[（Et 3 P）2 Ir（H）（Cl）（SiR 2 OH）]（R = i Pr，2 ; R = t Bu，3）。的晶体结构2所表现出三角-双锥，和分子间的Si-O-H- - -Cl氢键存在。的质子化图2得到高度热力学稳定的金属硅烷醇盐[（Et 3 P）2 Ir（H）（Cl）（Si i Pr 2 OLi）] 2（4）。化合物4具有几乎为平面的核，该核由铱，硅，氯，氧和锂中的两个原子组成。用HSi i Pr 2 OH处理（Et 3 P）3 RhCl后，形成第一个Rh-硅烷醇配合物，反式-[（（Et 3 P）2 Rh（H）（Cl）（i PrSi 2 OH）]。与起始络合物（K当量= 4×10 - 3）; 因此，反应取决于硅烷醇和Et
• A study by electron spin resonance spectroscopy of the di-t-butylsilanone radical anion
  作者：Alwyn G. Davies、Anthony G. Neville

  DOI：10.1016/0022-328x(92)85058-5

  日期：1992.9

  The ESR spectrum of the radical anion of di-t-butylsilanone tBu2SiO·−, can be observed when t-butoxyl radicals react with di-tert-butylsilanol under basic conditions. The magnitude of the hyperfine coupling to 29Si shows that the radical anion is pyramidal at silicon.

  二叔butylsilanone的自由基阴离子的ESR谱吨卜2 SiO · - ，可以当叔丁基团在碱性条件下二叔butylsilanol反应被观察到。与29 Si的超精细耦合的幅度表明，自由基阴离子在硅上呈锥体状。
• Organometallic chemistry on periodic mesoporous organosilicas: generation of surface-confined zinc and yttrium centres
  作者：Yucang Liang、Reiner Anwander

  DOI：10.1039/b516444c

  日期：——

  Periodic mesoporous ethylenesilicas with hexagonal P6mm and cubic Fm3m/Pm3n symmetry were prepared by using divalent surfactant C16–3–1 and binary surfactant mixtures C18–3–1 and C18TABr as structure-directing agents, respectively, under basic conditions. A tetramethyldisilazane-based surface silylation was carried out under mild conditions affording hybrid materials SiHMe2@PMO[MCM-41], SiHMe2@PMO[KIT-5] and SiHMe2@PMO[SBA-1], corresponding to silanol group populations of ca. 1.46, 0.67 and 1.63 mmol g−1, respectively. New molecular zinc precursor compounds Zn[N(SiHMe2)2]2 and EtZn(OSiHtBu2) were synthesized via salt metathesis and alkane elimination procedures from ZnCl2 and LiN[SiH(CH3)2]2, HOSiHtBu2 and ZnEt2, respectively. Organozinc and organoyttrium complexes were reacted with the surface silanol groups according to a heterogeneously performed silylamide route, aswell as an alkane elimination reaction, yielding Zn[N(SiHMe2)2]@PMO[MCM-41], Zn[N(SiHMe2)2]@PMO[KIT-5], Zn[N(SiHMe2)2]@PMO[SBA-1], Zn[N(SiMe3)2]@PMO[MCM-41], Zn[N(SiMe3)2]@PMO[KIT-5], Zn[N(SiMe3)2]@PMO[SBA-1], Y[N(SiHMe2)2]x(THF)y@PMO[MCM-41], Y[N(SiHMe2)2]x(THF)y@PMO[KIT-5], Y[N(SiHMe2)2]x(THF)y@PMO[SBA-1] and Zn(OSiHtBu2)@PMO[MCM-41]. The metal loading mainly depended on the surface silanol group population, size and shape of metal-coordinated ligand, and reaction time as shown for Zn contents in the range of 4.2 to 10.6 wt%. In addition, a preferred N(SiHMe2)2/OC6H2tBu2-2,6-Me-4 ligand exchangeability was found for the large yttrium surface centres. The parent and functionalized materials were characterized by powder X-ray diffraction, elemental analysis, N2 physisorption, FTIR, 13C CP and 1H MAS NMR spectroscopy.

  1]和Y[N(SiHMe2)2]x(THF)y@PMO[SBA-1]。