4-heptyloxypyridine

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-heptyloxypyridine
• 英文别名: 4-Heptoxypyridine
• 化学式: C₁₂H₁₉NO
• 分子量: 193.289
• InChiKey: DQBRHJNATFVSRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  14
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  22.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,10-bis(phenyliodonium)-closo-decaborate 、 4-heptyloxypyridine 反应 5.0h， 以79%的产率得到1,10-bis(4-heptyloxypyridinium)-closo-decaborate
  参考文献：
  名称：

  通过碘鎓两性离子对梭酸硼酸盐进行功能化

  摘要：

  为的官能化的简单方法闭合碳-borates [闭合碳-B 10 ħ 10 ] 2-（1），[闭合碳-1-CB 9 ħ 10 ] - （2），[闭合碳-B 12 ħ 12 ] 2-（3），[ closo -1-CB 11 H 12 ] -（4）和[3,3'-Co（1,2-C 2 B 9 H 11）2 ] -描述（5）。用ArI（OAc）2处理阴离子及其衍生物得到芳环两性离子，其对于色谱纯化足够稳定。这些两性离子与亲核试剂的反应提供了容易获得吡啶鎓，sulf，硫醇，腈，乙酰氧基和氨基衍生物的途径。机械方面的考虑增加了综合结果。

  DOI：

  10.1002/anie.201411858
• 作为产物：
  描述：

  4-氯吡啶 、 庚酸钠 以76%的产率得到4-heptyloxypyridine
  参考文献：
  名称：

  Boron Clusters in Liquid Crystals

  摘要：

  3-Dimensional aromatic moiety was used for the first time in the synthesis of liquid crystals. Several of the prepared compounds, based on sigma-aromatic boron clusters 1 and 2, show only nematic mesophases with relatively high T-i, good electrochemical but limited thermal stability. Absorption and emission spectra of pyridine derivative 15 are reported. Semiempirical methods were employed in evaluation of molecular properties and design of molecules with large coaxial dipole moments.

  DOI：

  10.1080/10587259508038705

文献信息

• Synthesis of 4-alkoxypyridines as intermediates for zwitterionic liquid crystals
  作者：Anas N. Hajhussein、Loay S. Abuzahra、Anna Pietrzak、Mary F. Sadek、Muhammad O. Ali、Jakub Wojciechowski、Andrienne C. Friedli、Piotr KaszyÅ„ski

  DOI：10.24820/ark.5550190.p010.700

  日期：——

  A series of 4-alkoxypyridines with n = 5–18 was obtained in typical yields of 75-80% by reacting 4-chloropyridine hydrochloride with the appropriate alcohol in DMSO in the presence of powdered NaOH. The reported synthesis is compared to other methods for preparation of 4-alkoxypyridines, and their uses are reviewed. 4-Tridecyloxypyridine is converted into the bis-zwitterionic derivative of [closo-B10H10]

  在粉末 NaOH 存在下，通过 4-氯吡啶盐酸盐与适当的醇在 DMSO 中反应，以 75-80% 的典型收率获得了一系列 n = 5-18 的 4-烷氧基吡啶。将报告的合成与其他制备 4-烷氧基吡啶的方法进行比较，并对其用途进行了审查。4-十三烷氧基吡啶转化为 [closo-B10H10] 的双两性离子衍生物，呈现液晶相和软结晶相。通过单晶XRD方法建立了两种吡啶和双两性离子的固态结构。研究了 N 原子配位对吡啶环几何形状的影响。
• Regioselective Functionalization of the [<i>closo</i>-1-CB₉H₁₀]⁻ Anion through Iodonium Zwitterions
  作者：Remigiusz Żurawiński、Rafał Jakubowski、Sławomir Domagała、Piotr Kaszyński、Krzysztof Woźniak

  DOI：10.1021/acs.inorgchem.8b01701

  日期：2018.8.20

  nucleophiles (MeCN, pyridine, MeC(═NH)NH2, CN–). The products and the unreacted 10-isomers 5[10] are separated achieving kinetic resolution of the isomeric iodonium zwitterions. Pure 5[10] is reacted with nucleophiles (pyridine, 4-C7H15OPyridine, Me2NCHS, PhCO2–, CN–, N3–, I–, MeC(═NH)NH2, and MeCN), giving substitution products. The mechanism of the substitution is investigated with density functional

  [ closo -1-CB 9 H 9 -1-R] -（2，R = H，COOH，C 5 H 11）与PhI（OAc）2的反应导致区域异构体的混合物[ closo -1-CB 9 H 8 -1-R-6-IPh]（5 [6]）和[ closo -1-CB 9 H 8 -1-R-10-IPh]（5 [10]）的比率约为3：1到1 ：1，其中前一个异构体与亲核试剂（MeCN，吡啶，MeC（═NH）NH 2，CN –）发生选择性反应。产品和未反应的10-异构体5 [10]分离得到异构的碘鎓两性离子的动力学拆分。纯5 [10]与亲核试剂（吡啶，4-C 7 H 15吡啶，Me 2 NCHS，PhCO 2 –，CN –，N 3 –，I –，MeC（═NH）NH 2和MeCN）反应，提供替代产品。用密度泛函理论（DFT）方法研究了取代的机理。一些亲核取代产物被进一步转化，从而扩大了[ closo -1-CB
• AGENT FOR IMPROVING PERMEATION OF A DRUG INTO A NAIL AND AN EXTERNAL TREATING AGENT CONTAINING THE SAME
  申请人：KATO Masatoshi

  公开号：US20100055056A1

  公开（公告）日：2010-03-04

  The present invention herein provides a compound which promotes drug-permeation into nails. A penetrating promoter comprises, for instance, the following formulas. R 1 , R 2 and R 3 are alkyl groups having a carbon number of 1 to 15 and have OH groups at their ends.

  本发明提供了一种促进药物渗透到指甲中的化合物。一种渗透促进剂包括以下公式，例如：R1、R2和R3是碳原子数为1至15的烷基基团，并且它们的末端有羟基。
• Polar derivatives of [<i>closo</i>-1-CB₉H₁₀]⁻and [<i>closo</i>-1-CB₁₁H₁₂]⁻anions as high Δ<i>ε</i>additives to a nematic host: a comparison of the CH₂CH₂and COO linking groups
  作者：Rafał Jakubowski、Jacek Pecyna、Muhammad O. Ali、Anna Pietrzak、Andrienne C. Friedli、Piotr Kaszyński

  DOI：10.1039/d1dt00211b

  日期：——

  Liquid crystalline pyridinium zwitterions of [closo-1-CB₉H₁₀]⁻perform better as polar potential components of LCD materials than the sulfonium or [closo-1-CB₁₁H₁₂]⁻analogs on the basis of solubility and Maier–Meier analysis.

  液晶嘧啶偏二阳离子[closo-1-CB₉H₁₀]⁻作为LCD材料的极性势组分，比磺酸盐或[closo-1-CB₁₁H₁₂]⁻类似物在溶解性和Maier-Meier分析的基础上表现更好。
• POLAR NEMATIC COMPOUNDS
  申请人：Ringstrand Bryan

  公开号：US20110147655A1

  公开（公告）日：2011-06-23

  Polar nematic compounds, one example of which has the following structure: is a caged boron structure, where the sphere of the caged boron structure is C and each non-sphere vertex of the caged boron structure is B—H. R is H, an alkyl, a cycloalkyl, a bicycloalkyl, an alkenyl, a cycloalkenyl, a bicycloalkenyl, an alkynyl, an acyl, an aryl, an alkylaryl, a halogen, a cyano group, or an isothiocyanoto group, or R is a group that forms an ether, a ketone, an ester, a thioester, a sulfide, or a sulfone. X is COOR′ or COSR′. R′ is H, an alkyl, a cycloalkyl, a bicycloalkyl, an alkenyl, a cycloalkenyl, a bicycloalkenyl, an alkynyl, an aryl, a halogen, or a cyano group. The compounds may be used in liquid crystal displays (LCDs), and in television sets, laptop computers, computer monitors, hand-held communication devices, gaming devices, watches, cash registers, clocks, and calculators having liquid crystal displays.

  极性向列相化合物，其中一个例子具有以下结构：是一个围绕硼的结构，其中围绕硼结构的球体是C，围绕硼结构的每个非球体顶点是B-H。R是H，烷基，环烷基，双环烷基，烯烃基，环烯烃基，双环烯烃基，炔基，酰基，芳基，烷基芳基，卤素，氰基，或异硫氰基，或者R是形成醚，酮，酯，硫酯，硫化物或砜的基团。X是COOR′或COSR′。R′是H，烷基，环烷基，双环烷基，烯烃基，环烯烃基，双环烯烃基，炔基，芳基，卤素或氰基。这些化合物可用于液晶显示器（LCD）、电视机、笔记本电脑、计算机显示器、手持通讯设备、游戏设备、手表、收银机、时钟和具有液晶显示器的计算器。