3-dodecyloxy-aniline | 72621-23-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-dodecyloxy-aniline
• 英文别名: 3-Dodecyloxy-anilin；3-n-dodecyloxyaniline；3-(Dodecyloxy)aniline；3-dodecoxyaniline
• CAS: 72621-23-9
• 化学式: C₁₈H₃₁NO
• 分子量: 277.45
• InChiKey: GMFOWSVAUOVCJP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  20
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-dodecyloxy-aniline 在 palladium on activated charcoal 4-二甲氨基吡啶 、 氢气 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 、 甲苯 为溶剂， 生成 [4-[4-[(3-Dodecoxyphenyl)carbamoyl]phenoxy]carbonylphenyl] 4-octoxybenzoate
  参考文献：
  名称：

  Liquid crystalline amides: linear arrangement of rod-like molecules by lateral intermolecular hydrogen bonding and molecular shape effect

  摘要：

  设计并合成了弯棒状和直棒状液晶酰胺1-3，通过偏光光学显微镜和差示扫描量热法研究了它们的热力学行为，并通过X射线衍射测量了它们的层距。在具有长烷氧基链 (OR2) 的弯棒状化合物 1、直棒状化合物 2 和直棒状化合物 3 的近晶 C、近晶相中，在变温 FT-IR 光谱中观察到弱或强氢键分别为 Cx 相和近晶 A 相。因此，这些液晶酰胺可以通过横向分子间氢键在其近晶层中生成线性分子聚集体。

  DOI：

  10.1039/b408672d
• 作为产物：
  描述：

  间硝基苯酚 在 palladium 10% on activated carbon 、 氢气 、 potassium carbonate 作用下， 以 乙醇 、 丙酮 为溶剂， 生成 3-dodecyloxy-aniline
  参考文献：
  名称：

  Synthesis and biological evaluation of novel N-(alkoxyphenyl)-aminocarbonylbenzoic acid derivatives as PTP1B inhibitors

  摘要：

  Based on the fact that petroselinic acid showed good inhibitory activity (IC50 = 6.99 mu mol/L) against protein tyrosine phophatase 1B(PTP1B) in vitro, a series of novel N-(alkoxyphenyl)-aminocarbonylbenzoic acid derivatives were designed and synthesized. The results indicated that most of the derivatives showed more potent activities against PTP1B. Especially, compound 13 had obvious activity with an IC50 of 106 nmol/L in vitro. (C) 2010 Song Wu. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2010.07.005

文献信息

• Design, Synthesis, and Anticonvulsant Activity Evaluation of 4-(3-Alkoxy-phenyl)-2,4-dihydro-[1,2,4]triazol-3-ones
  作者：Bing Shu、Yan Zheng、Shi-Ben Wang、Xian-Qing Deng、Zhe-Shan Quan

  DOI：10.1002/ardp.201200201

  日期：2013.2

  4‐(3‐alkoxy‐phenyl)‐2,4‐dihydro‐[1,2,4]triazol‐3‐ones were synthesized using the appropriate synthetic route and evaluated experimentally in the maximal electroshock test; their neurotoxicities were evaluated by the rotarod neurotoxicity test. The structures of these compounds were confirmed by IR, MS, 1H‐NMR, and elementary analysis. All target compounds exhibited anticonvulsant activity to varying degrees in

  使用适当的合成路线合成了一系列 4-(3-alkoxy-phenyl)-2,4-dihydro-[1,2,4]triazol-3-ones，并在最大电击试验中进行了实验评估；它们的神经毒性通过旋转棒神经毒性试验进行评估。这些化合物的结构经IR、MS、1H-NMR和元素分析确证。所有目标化合物在最大电击试验中均表现出不同程度的抗惊厥活性。4-(3-Benzyloxy-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one (4i) 是最有前途的化合物，其 ED50 值为 30.5 mg/kg，具有保护指数（ PI) 为 18.63，显示出比标准卡马西平 (PI = 6.45) 更高的安全性。此外，化合物 4i 对戊四唑和 3-巯基丙酸诱导的癫痫发作的效力表明其具有广谱活性，
• Processs for preparing triazine compounds
  申请人：Nagase Hisato

  公开号：US20060281919A1

  公开（公告）日：2006-12-14

  A process for preparing a triazine compound represented by formula (1) including reacting a 2,4,6-trichlorotriazine, in the presence of a base, with a compound represented by the formula (2) in an organic solvent containing water and an aromatic hydrocarbon is provided.

  本发明提供了一种制备由式（1）所表示的三嗪化合物的过程，包括在含水和芳香族碳氢化合物的有机溶剂中，在碱的存在下，将2,4,6-三氯三嗪与式（2）所表示的化合物反应。
• On the balance between syn- and anticlinicity in smectic phases formed by achiral hockey-stick mesogens with and without chiral dopants
  作者：Eva Enz、Sonja Findeisen-Tandel、Roman Dabrowski、Frank Giesselmann、Wolfgang Weissflog、Ute Baumeister、Jan Lagerwall

  DOI：10.1039/b820717h

  日期：——

  A series of achiral hockey-stick-shaped mesogens forming tilted smectic liquid crystal phases of synclinic SmC- as well as anticlinic SmCa-type was prepared and characterized. While all homologues exhibit both phases, the balance shifts from anticlinic to synclinic order upon elongation of the terminal chain at the meta- position, defining the hockey-stick shape. The elongation also leads to an increased kinetic hindrance of the transition between syn- and anticlinic phases and a decreased transition enthalpy. These observations indicate that a well-defined kink (short meta-substituted chain) promotes the anticlinic structure while a higher flexibility between kinked and rod-shape (long meta-substituted chain) promotes synclinic order. An intermediate chain-length homologue was selected as host material for doping with syn- and anticlinic rod-shaped chiral dopants, respectively, at varying concentrations. Opposite of what might be expected the balance between syn- and anticlinic order was not simply dictated by the choice of dopant. Instead, both types of tilting order prevailed with roughly the same strength as in the achiral host regardless of which chiral material was added, up to concentrations well beyond normal doping conditions. Thus, at least with hockey-stick-shaped achiral hosts, syn- as well as anticlinic chiral compounds can be used effectively as chiral dopants without necessarily having an important impact on the clinicity of the resulting mixture. The hockey-stick design concept should be useful in producing achiral anticlinic-forming mesogens for low-polarization, long-pitch antiferroelectric liquid crystal mixtures. Finally, we point out that a mixture study like the one carried out here yields a conclusive means of establishing the clinicity of achiral tilted smectics, an endeavour that can sometimes be far from trivial.

  制备并表征了一系列非手性曲棍球棒状介晶，形成向斜 SmC 型和背斜 SmCa 型倾斜近晶液晶相。虽然所有同系物都表现出两个相，但在间位末端链伸长时，平衡从背斜顺序转变为向斜顺序，从而定义了曲棍球棒形状。伸长还导致顺斜相和背斜相之间转变的动力学阻碍增加以及转变焓降低。这些观察结果表明，明确的扭结（短间位取代链）促进了背斜结构，而扭结和棒状（长间位取代链）之间更高的灵活性促进了向斜有序。选择中间链长同系物作为主体材料，分别以不同浓度掺杂顺斜棒状手性掺杂剂和背斜棒状手性掺杂剂。与预期相反，顺斜序和背斜序之间的平衡并不简单地由掺杂剂的选择决定。相反，无论添加哪种手性材料，两种类型的倾斜顺序都以与非手性主体大致相同的强度为主，浓度远远超出正常掺杂条件。因此，至少对于曲棍球棒形状的非手性主体，顺斜和反斜手性化合物可以有效地用作手性掺杂剂，而不必对所得混合物的临床性产生重要影响。曲棍球棒设计概念应该可用于生产低偏振、长螺距反铁电液晶混合物的非手性反斜形成介晶。最后，我们指出，像这里进行的混合研究提供了一种确定非手性倾斜近晶临床性的决定性方法，这一努力有时可能绝非微不足道。
• Formation of stable bilayer assemblies in water from single-chain amphiphiles. Relationship between the amphiphile structure and the aggregate morphology
  作者：Toyoki Kunitake、Yoshio Okahata、Masatsugu Shimomura、Shoichiro Yasunami、Kunihide Takarabe

  DOI：10.1021/ja00408a021

  日期：1981.9
• Guanyl and biguanyl compounds
  申请人：WINTHROP CHEM CO INC

  公开号：US02213474A1

  公开（公告）日：1940-09-03