1,1,3,3,5,5-hexaphenylcyclotrisilthiane | 15287-09-9

• 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: 1,1,3,3,5,5-hexaphenylcyclotrisilthiane
• 英文别名: hexaphenylcyclotrisilthiane；hexaphenyl-cyclotrisilathiane；Hexaphenyl-cyclotrisilathian；hexaphenyl-cyclotrisilthiane；Hexaphenylcyclotrisilithian；Hexaphenyltrisilathian；Hexaphenylcyclotrisilathiane；2,2,4,4,6,6-hexakis-phenyl-1,3,5,2,4,6-trithiatrisilinane
• CAS: 15287-09-9
• 化学式: C₃₆H₃₀S₃Si₃
• 分子量: 643.089
• InChiKey: FZDRQHYFELCGRX-UHFFFAOYSA-N

物化性质

• 熔点：
  191 °C
• 沸点：
  671.0±38.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.97
• 重原子数：
  42
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  75.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,1,3,3,5,5-hexaphenylcyclotrisilthiane 生成 1,1,3,3-tetraphenylcyclodisilthiane
  参考文献：
  名称：

  Mayfield et al., Journal of Organic Chemistry, 1964, vol. 29, p. 2444,2445

  摘要：

  DOI：
• 作为产物：
  描述：

  三苯基硅烷硫醇 生成 1,1,3,3,5,5-hexaphenylcyclotrisilthiane
  参考文献：
  名称：

  HORN, H. -G.;HEMEKE, M., CHEM.-ZTG, 1985, 109, N 12, 409-414

  摘要：

  DOI：

文献信息

• Silanones and Silanethiones from the Reactions of Transient Silylenes with Oxiranes and Thiiranes in Solution. The Direct Detection of Diphenylsilanethione.
  作者：Svetlana S. Kostina、William J. Leigh

  DOI：10.1021/ja107881p

  日期：2011.3.30

  basis of its second order decay kinetics and absolute rate constants for reaction with methanol, tert-butanol, acetic acid, and n-butyl amine, for which values in the range of 1.4 × 10(8) to 3.2 × 10(9) M(-1) s(-1) are reported. The experimental rate constants for decay of the SiMe(2)-epoxide and -PrS complexes indicate free energy barriers (ΔG(‡)) of ca. 8.5 and ≤7.1 kcal mol(-1) for the rate-determining

  瞬态亚硅烷 SiMe(2) 和 SiPh(2) 与环己烯氧化物 (CHO)、环氧丙烷 (PrO) 和硫化丙烯 (PrS) 在烃溶剂中反应，形成与相应瞬态硅烷酮和硅烷硫酮的形成一致的产物，分别。激光闪光光解研究表明，这些反应通过多步序列进行，涉及相应的亚甲硅烷-环氧乙烷或硫杂丙环配合物的中间体，这些配合物在所有情况下都以接近扩散极限的速率常数形成，并表现出类似于与非反应性 O-和 S-供体、四氢呋喃和四氢噻吩的相应配合物。SiMe(2)-PrO 和 SiPh(2)-PrO 复合物的寿命都为约。300 ns，比相应的 CHO 复合物寿命更长，两者都在 230-240 ns 的范围内。另一方面，亚甲硅烷基-PrS 配合物的寿命要短得多，并且随甲硅烷基取代基而变化；SiMe(2)-PrS 复合物随激发激光脉冲衰减 (即 τ ≤ 25 ns)，而 SiPh(2)-PrS 复合物的 τ = 48 ± 3
• Organosilicon chalcogenides with trisilane units – bicyclo[3.3.1]nonanes, bicyclo[3.2.2]nonanes and spiro[4.4]nonanes
  作者：U Herzog、H Borrmann

  DOI：10.1016/j.jorganchem.2003.11.011

  日期：2004.2

  3-trichloropentamethyltrisilane (1) with H2S/NEt3 results in the formation of a mixture of two isomers of (Me5Si3)2S3 with a bicyclo[3.3.1]nonane (2a) and a bicyclo[3.2.2]nonane (2b) skeleton, while the reaction of 1 with Li2Se yields one product only, (Me5Si3)2Se3 (3a), with a bicyclo[3.3.1]nonane structure. Besides 1H, 13C, 29Si and 77Se NMR spectroscopy 3a has also been characterized by a crystal structure

  用H 2 S / NEt 3处理1,2,3-三氯五甲基三硅烷（1）导致（Me 5 Si 3）2 S 3的两种异构体与双环[3.3.1]壬烷（2a）形成混合物）和双环[3.2.2]壬烷（2b）骨架，而1与Li 2 Se的反应仅产生一种产物，即（Me 5 Si 3）2 Se 3（3a），带有双环[3.3.1]。壬烷结构。除了1 H，13 C，29Si和77 Se NMR光谱3a也已经通过晶体结构分析来表征。
• Formation and characterization of cyclic and polycyclic silthianes containing Si Si bonds
  作者：U. Herzog、U. Böhme、G. Roewer、G. Rheinwald、H. Lang

  DOI：10.1016/s0022-328x(00)00156-x

  日期：2000.5

  The reactions of several organochlorosilanes and -oligosilanes with H2S and NEt3 have been investigated. Different bicyclic silthianes with bis-cyclopentyl, bicyclo-[3,3,0]-octane, bicyclo-[2,2,1]-heptane (norbornane), bicyclo-[3,2,1]-octane, bicyclo-[2,2,2]octane and bicyclo-[3,2,1]-nonane skeletons were formed and have been characterized by MS and H-1-, C-13- and Si-29-NMR. The reaction of 1,1,2,2-tetrachlorodimethyldisilane with H2S and NEt3 yields 1,3,5,7,9,11-hexamethyl-1,3,5,7,9,11-hexasila-2,4,6,8,10,12-hexathiatetracyclo-[5,5.0(3.11),0(5,9)]-dodecane (4c) containing three disilane units. Density functional theory calculations proved the general observation that compounds with Si3S2 five-membered rings are preferred. The crystal structures of 4c, 1,3,3,5,7,7-hexamethyl-1,3,5,7-tetrasila-2,4,6,8-tetrathiabicyclo-[3,3,0]-octane (6) and 1,2,2,4,4,5,6,6,8,8-decamethyl-1,2,4,5,6,8-hexasila-3,7-dithiabicyclo-[3,3,0]-octane (9) have been determined. (C) 2000 Elsevier Science S.A. All rights reserved.
• Lebedev,E.P. et al., Journal of general chemistry of the USSR, 1976, vol. 46, p. 313 - 317
  作者：Lebedev,E.P. et al.

  DOI：——

  日期：——
• Dimeric and trimeric diorganosilicon chalcogenides (PhRSiE)2,3 (E=S, Se, Te; R=Ph, Me)
  作者：Uwe Herzog、Heike Lange、Horst Borrmann、Bernhard Walfort、Heinrich Lang

  DOI：10.1016/j.jorganchem.2004.06.068

  日期：2004.12

  Ph2SiCl2 and PhMeSiCl2 react with Li2E (E = S, Se, Te) under formation of trimeric diorganosilicon chalcogenides (PhRSiE)(3) (R = Ph: 1a-3a, R = Me: cis/trans-4a (E = S), cis/trans-5a (E = Se)). In case of E = S. Se dimeric four-membered ring compounds (PhRSiE)(2) (R = Ph: 1b-2b, R = Me: cis/trans-4b (E = S), cis/trans-5b (E = Se)) have been observed as by-products. 1a-5b have been characterized by multinuclear NMR spectroscopy. (H-1, C-13, Si-29, Se-77, Te-125). Four- and six-membered ring compounds differ significantly in Si-29 and Se-77 chemical shifts as well as in the value of (1)J(SiSe).The molecular structures of 2a, 3a and trans-5a reported in this paper are the first examples of compounds with unfused six-membered rings Si3E3 (E = Se, Te). The Si3E3 rings adopt twisted boat conformations. The crystal structure of 3a reveals an intermolecular Te-Te contact of 3.858 A which yields a dimerization in the solid state. (C) 2004 Elsevier B.V. All rights reserved.