3,5,8-三氧杂双环[2.2.2]辛烷-1-甲醇 | 72252-47-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3,5,8-三氧杂双环[2.2.2]辛烷-1-甲醇
• 英文名称: 4-hydroxymethyl-2,6,7-trioxabicyclooctane
• 英文别名: 4-(hydroxymethyl)-2,6,7-trioxabicyclo<2.2.2>octane；4-(hydroxymethyl)-2,6,7-trioxabicyclo[2.2.2]octane；2,6,7-trioxabicyclo[2.2.2]octan-4-ylmethanol；2,6,7-Trioxabicyclo[2.2.2]octane-4-methanol
• CAS: 72252-47-2
• 化学式: C₆H₁₀O₄
• 分子量: 146.143
• InChiKey: WABHYJTYGYNPTR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  47.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,5,8-三氧杂双环[2.2.2]辛烷-1-甲醇 在 sulfur 、 cadmium(II) chloride 作用下， 以 苯 为溶剂， 20.0~100.0 ℃ 、50.66 kPa 条件下， 反应 12.0h， 生成 2-<2,2,2-tris(palmitoyloxymethyl)ethoxy>-1,3,2-dioxaphosphorinane 2-sulfide
  参考文献：
  名称：

  Predvoditelev, D. A.; Savin, G. A.; Nifant'ev, E. E., Journal of general chemistry of the USSR, 1992, vol. 62, # 9.1, p. 1652 - 1656

  摘要：

  DOI：
• 作为产物：
  描述：

  季戊四醇 、 原甲酸三乙酯 在 对甲苯磺酸 作用下， 以 various solvent(s) 为溶剂， 120.0~180.0 ℃ 、13.33 Pa 条件下， 以50%的产率得到3,5,8-三氧杂双环[2.2.2]辛烷-1-甲醇
  参考文献：
  名称：

  Starburst polyether dendrimers

  摘要：

  DOI：

  10.1021/jo00233a002

文献信息

• One-step covalent grafting of Fe₄single-molecule magnet monolayers on gold
  作者：Maria Jesus Rodriguez-Douton、Matteo Mannini、Lidia Armelao、Anne-Laure Barra、Erik Tancini、Roberta Sessoli、Andrea Cornia

  DOI：10.1039/c0cc04583g

  日期：——

  Iron(III)-based single-molecule magnets have been covalently grafted on Au(111) in one step using 1,2-dithiolan-3-yl side groups. Reaction with the substrate quantitatively affords a monolayer of electronically intact clusters doubly linked to the surface via Au–S bonds, as demonstrated by a combination of STM, XAS/XMCD and XPS studies.

  利用 1,2-二硫环戊-3-基侧基团，在金(111)上一步共价接枝了基于铁(III)的单分子磁体。结合 STM、XAS/XMCD 和 XPS 研究证明，与基底反应可定量生成单层电子完整的磁簇，这些磁簇通过 Au-S 键与表面双重连接。
• Synthesis and structure of 2-aryl-5,5-disubstituted-1,3-dioxanes and conversion into chiral (1,1,1-trishydroxymethyl) methane derivatives
  作者：John M Gardiner、Paul Mather、Ramy Morjan、Robin G Pritchard、John E Warren、Malcolm L Cooper、Abd El-Rahman S Ferwanah、Omar S Abu-Tiem

  DOI：10.1016/s0040-4039(02)00176-4

  日期：2002.3

  Pentaerythritol, (1,1,1-trishydroxymethyl)methyl methane and ( 1, 1,1-trishydroxymethyl)nitro methane are converted into 2-aryl-5.5-bis(hydroxymethyl), 2-aryl-5-hydroxymethyl-5-methyl- or 2-aryl-5-hydroxymethyl-5-nitro-1,3-dioxanes and a range of derivatives. X-Ray and NMR analysis establishes that the latter is obtained as a single diastereomer whose structure is unambiguously determined. These materials can be elaborated to chiral derivatives of the starting (1.1.1-trishydroxymethyl) methanes. (C) 2002 Elsevier Science Ltd. All rights reserved.
• Rapid Library Synthesis of Amphiphiles Based On a Dioxinone Scaffold and Identification of Nonlamellar Liquid Crystals
  作者：Shinichiro Fuse、Kentarou Nakamura、Yuto Mifune、Hironori Marubayashi、Ichiro Hijikuro、Shuichi Nojima、Hiroshi Tanaka、Takashi Takahashi

  DOI：10.1055/s-0034-1379184

  日期：——

  Linear and branched amphiphiles with different lengths of lipids and different numbers of hydroxyl groups were rapidly synthesized based on a dioxinone scaffold. The liquid crystalline (LC) properties of the synthesized amphiphiles in excess water were investigated by polarizing optical microscopy and small-angle X-ray scattering (SAXS) analysis. Novel -keto ester based amphiphiles that formed non-lamellar, inverted LC phases were identified.
• Self-Assembly of Molecular Dumbbells into Organized Bundles with Tunable Size
  作者：Myongsoo Lee、Yang-Seung Jeong、Byoung-Ki Cho、Nam-Keun Oh、Wang-Cheol Zin

  DOI：10.1002/1521-3765(20020215)8:4<876::aid-chem876>3.0.co;2-m

  日期：2002.2.15

  Dumbbell-shaped molecules consisting of three biphenyls connected through vinyl linkages as a conjugated rod segment and aliphatic polyether dendritic wedges with different cross-sections (i.e., dibranch (1), tetrabranch (2) and hexabranch (3)) were synthesized and characterized. The molecular dumbbells self-assemble into discrete bundles that organize into three-dimensional superlattices. Molecule 1, based on a dibranched dendritic wedge, organizes into primitive monoclinic-crystalline and body-centered, tetragonal liquid crystalline structures, while molecules 2 and 3, based on tetra- and hexabranched dendritic wedges, respectively, form only body-centered, tetragonal liquid crystalline structures. X-ray diffraction experiments and density measurements showed that the rod-bundle cross-sectional area decreases with increasing cross-section of the dendritic wedges. The influences of supramolecular structure on the bulk-state optical properties were investigated by measuring the UV/Vis absorption and steady state fluorescence spectroscopies. As the cross-section of the dendritic wedge of the molecule increases, the absorption and emission maxima shift to higher energy. This can be attributed to a quantum size effect of the three-dimensionally confined nanostructure.
• PADIAS, ANNE BUYLE;HALL, H. K., JR.;TOMALIA, DONALD A.;MCCONNELL, J. R., J. ORG. CHEM., 52,(1987) N 24, 5305-5312
  作者：PADIAS, ANNE BUYLE、HALL, H. K., JR.、TOMALIA, DONALD A.、MCCONNELL, J. R.

  DOI：——

  日期：——