(1S,2S,5S)-myrtanol tosylate

• 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: (1S,2S,5S)-myrtanol tosylate
• 英文别名: myrtanol tosylate；((1S,2S,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)methyl 4-methylbenzenesulfonate；[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl 4-methylbenzenesulfonate
• 化学式: C₁₇H₂₄O₃S
• 分子量: 308.442
• InChiKey: AZEIDOGKGJVTCE-YCPHGPKFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (1S,2S,5S)-myrtanol tosylate 在 bis(triphenylphosphine)palladium(II)-chloride copper(l) iodide 、 sodium ethanolate 、 三乙胺 、 三苯基膦 作用下， 以 乙醇 为溶剂， 反应 15.17h， 生成 (1S,2S,5S)-myrtanoxy-2,4,6-tris(4-ethynylbenzonitrile)benzene
  参考文献：
  名称：

  Variable Pore Size, Variable Chemical Functionality, and an Example of Reactivity within Porous Phenylacetylene Silver Salts

  摘要：

  Investigations on molecular variants of the 3-fold symmetric 1,3,5-tris(4-ethynylbenzonitrile)benzene crystallized with silver triflate revealed a nearly invariant pseudohexagonal porous structure type. Modifications involved the attachment of pendant groups to the central aromatic ring of the parent molecule. Pendant groups include the vinyl group, stilbene, the chiral group myrtanol, and groups with different chemical functionalities such as alcohols, ethers, and esters. Modifications also included the addition of elongated spacer units between the central benzene ring and the peripheral nitrile groups. In these molecules the acetylene bridges of 1,3,5-tris(4-ethynylbenzonitrile)benzene were replaced with diacetylene, ethynylbenzene, and diethynylbenzene type units. Single-crystal refinements for pentoxy-2,4,6-tris(4-ethynylbenzonitril)benzene.AgOTf and 1,3,5-tris(4-(4-ethynylbenzonitrile)phenyl)benzene.AgOTf as well as powder data on 12 crystalline phases showed the consistent formation of pseudohexagonal channels, demonstrating that the parent porous architecture is stable both to functional modification of the interior of the channel as well as to enlargement of the pores. Pentoxy-2,4,6-tris(4-ethynylbenzonitrile)benzene.AgOTf refined in the monoclinic space group Am. 1,3,5-Tris(4-(4-ethynylbenzonitrile)phenyl)benzene.AgOTf was found to be triclinic with space group P (1) over bar. These crystals have pseudohexagonal channels respectively 15 and 25 Angstrom in diameter. Cell constants based on powder data are compatible with channel diameters ranging from 10 to 30 Angstrom. The latter channel diameters are among the largest known for organic porous solids. The introduction of the chiral myrtanol unit led to the preparation of a chiral porous solid. The thermal and chemical stabilities of these phases were investigated. The pseudohexagonal structure proved stable to complete solvent loss from the channel. It was found in the case of a host with alcohol functionality that an acid anhydride guest, trifluoroacetic anhydride, reacted with the host to form an ester with retention of the porous structure type.

  DOI：

  10.1021/ja991100b
• 作为产物：
  描述：

  桃金娘烷醇 、 对甲苯磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 生成 (1S,2S,5S)-myrtanol tosylate
  参考文献：
  名称：

  Potassium Channel Modulators

  摘要：

  本文披露了式（I）的KCNQ钾通道调节剂，其中G 1 ，R 2 ，R 1a ，R 1b ，X，X 1 ，X 2 ，X 3 ，R x ，J，k，n，q和t如规范中所定义。还描述了包含这些化合物的组合物；以及使用这些化合物和组合物治疗疾病和疾病的方法。

  公开号：

  US20120122890A1

文献信息

• Synthesis and Characterization of Chiral Imidazolium Salts
  作者：Romano Dorta、Mayra Machado

  DOI：10.1055/s-2005-872102

  日期：——

  Chiral imidazolium salts that can be classified as ionic liquids (ILs) were derived from the ‘chiral pool’ precursors camphor, β-pinene, and tartaric acid. ILs containing chiral imidazolium cations as well as chiral anions were synthesized. Furthermore, the anion of the IL 1-methyl-3-[(S)-2′-methylbutyl]imidazolium tosyl­ate was substituted on an ion-exchange resin for the chiral (S)-camphorsulfonate anion thus forming the first well-characterized ‘doubly chiral’ IL.

  可以被归类为离子液体 (ILs) 的手性咪唑盐是从“手性池”前体樟脑、β-松烯和酒石酸衍生而来的。合成了含有手性咪唑阳离子以及手性阴离子的IL。此外，IL 1-甲基-3-[(S)-2′-甲基丁基]咪唑盐的阴离子在离子交换树脂上被替换为手性 (S)-樟脑磺酸盐阴离子，从而形成了第一个经过良好表征的“双重手性”IL。
• Intrachain energy transfer in silylene-spaced alternating donor–acceptor divinylarene copolymers
  作者：Yen-Ju Cheng、Tsyr-Yuan Hwu、Jui-Hung Hsu、Tien-Yau Luh

  DOI：10.1039/b206308e

  日期：——

  Silylene-spaced donor-acceptor divinylarene copolymers are synthesized by hydrosilylation of bisalkynes 7 with bisvinylsilanes 3; efficient intrachain energy transfer between donor-acceptor chromophores is observed.

  甲硅烷基间隔的供体-受体二乙烯基芳烃共聚物是通过将双炔7与双乙烯基硅烷3进行硅氢加成而合成的；在供体-受体生色团之间观察到有效的链内能量转移。
• Potassium channel modulators
  申请人：Perez-Medrano Arturo

  公开号：US08609674B2

  公开（公告）日：2013-12-17

  Disclosed herein are KCNQ potassium channels modulators of formula (I) wherein G1, R2, R1a, R1b, X, X1, X2, X3, Rx, J, k, n, q, and t are as defined in the specification. Compositions comprising such compounds; and methods for treating conditions and disorders using such compounds and compositions are also described.

  本文披露了公式（I）的KCNQ钾通道调节剂，其中G1，R2，R1a，R1b，X，X1，X2，X3，Rx，J，k，n，q和t的定义如规范中所定义。还描述了包含这些化合物的组合物；以及使用这些化合物和组合物治疗疾病和病症的方法。
• US8609674B2
  申请人：——

  公开号：US8609674B2

  公开（公告）日：2013-12-17