4-(n-octyloxy)-3-ethoxybenzaldehyde

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-(n-octyloxy)-3-ethoxybenzaldehyde
• 英文别名: 3-Ethoxy-4-octoxybenzaldehyde
• 化学式: C₁₇H₂₆O₃
• 分子量: 278.392
• InChiKey: VJQSNOXSPCCCQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  20
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(n-octyloxy)-3-ethoxybenzaldehyde 在 sodium tetrahydroborate 作用下， 以 异丙醇 为溶剂， 反应 4.0h， 以76%的产率得到(3-Ethoxy-4-octoxyphenyl)methanol
  参考文献：
  名称：

  Esters of benzoic, 5-arylisoxazole-3-carboxylic and 4,5-dichloroisothiazole-3-carboxylic acids

  摘要：

  DOI：

  10.1134/s107036321406019x
• 作为产物：
  描述：

  乙基香兰素 、 alkaline earth salt of/the/ methylsulfuric acid 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 生成 4-(n-octyloxy)-3-ethoxybenzaldehyde
  参考文献：
  名称：

  Selecting against S1P3 enhances the acute cardiovascular tolerability of 3-(N-benzyl)aminopropylphosphonic acid S1P receptor agonists

  摘要：

  Structurally modified 3-(N-benzylamino)propylphosphonic acid SIP receptor agonists that maintain affinity for S1P(1), and have decreased affinity for S1P(3) are efficacious, but exhibit decreased acute cardiovascular toxicity in rodents than do nonselective agonists. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.070

文献信息

• Synthesis, Characterization, and Mesomorphic Properties of New Pyridine Derivatives
  作者：Ahipa T. N.

  DOI：10.1002/open.201500158

  日期：2015.12

  Luminescent liquid crystals have received significant research interest due to their wide range of applications. Here, new pyridine derivatives were designed as liquid crystalline materials. They were successfully synthesized via appropriate synthetic routes, their structures confirmed by various spectral techniques, and finally characterized for their mesogenic, optical and optoelectronic properties

  发光液晶由于其广泛的应用而受到了广泛的研究兴趣。在这里，新的吡啶衍生物被设计为液晶材料。它们是通过适当的合成路线成功合成的，其结构已通过各种光谱技术证实，并最终通过介晶，光学和光电特性进行了表征。
• New columnar liquid crystal materials based on luminescent 2-methoxy-3-cyanopyridines
  作者：T. N. Ahipa、Vijith Kumar、Airody Vasudeva Adhikari

  DOI：10.1007/s11224-014-0390-x

  日期：2014.8

  A new series of donor–acceptor–donor (D–A–D) type luminescent mesogens carrying 2-methoxy-3-cyanopyridine as a central core linked with variable alkoxy chain lengths (m = 6 and 8) as terminal substituents was synthesized and characterized using spectral methods. The newly synthesized molecules were subjected to single-crystal X-ray diffraction (SCXRD), powder X-ray diffraction (PXRD), differential scanning calorimetric (DSC), polarizing optical microscopy (POM), and fluorescence emission studies in order to ascertain their mesogenic and photophysical properties. The SCXRD data on 4a and 4b reveal that the presence of short intermolecular contacts, viz. C–H···N, C–H···O, C–H···π, and π···π interactions, is responsible for their crystal packing. The measured torsion angle values indicate that molecules possess distorted non-planar structure. The DSC, POM, and PXRD studies confirm that all the molecules show thermotropic liquid crystalline behaviour and exhibit rectangular columnar phase. Further, their UV–visible and fluorescence spectral studies reveal that the target molecules are luminescent displaying a strong absorption band in the range of 335–340 nm and a blue fluorescence emission band in the range of 395–425 nm (both in solution and film state) with good fluorescence quantum yields (10–49 %).

  以 2-甲氧基-3-氰基吡啶为中心核，以可变烷氧基链长度（m = 6 和 8）为末端取代基，合成了一系列新的供体-受体-供体（D-A-D）型发光介质，并利用光谱方法对其进行了表征。对新合成的分子进行了单晶 X 射线衍射（SCXRD）、粉末 X 射线衍射（PXRD）、差示扫描量热（DSC）、偏振光学显微镜（POM）和荧光发射研究，以确定它们的介电性和光物理性质。4a 和 4b 的 SCXRD 数据显示，它们的晶体结构是由分子间的短接触（即 C-H--N、C-H--O、C-H--π 和 π--π 相互作用）造成的。测量到的扭转角值表明，分子具有扭曲的非平面结构。DSC、POM 和 PXRD 研究证实，所有分子都表现出热致液晶行为，并呈现矩形柱状相。此外，它们的紫外-可见光和荧光光谱研究表明，目标分子具有发光特性，在 335-340 nm 范围内显示出强吸收带，在 395-425 nm 范围内显示出蓝色荧光发射带（溶液和薄膜状态下均是），并具有良好的荧光量子产率（10-49 %）。
• [EN] EDG RECEPTOR AGONISTS<br/>[FR] AGONISTES DU RECEPTEUR EDG
  申请人：MERCK & CO INC

  公开号：WO2003062252A1

  公开（公告）日：2003-07-31

  The present invention encompasses compounds of Formula I: as well as the pharmaceutically acceptable salts and hydrates thereof. The compounds are useful for treating immune mediated diseases and conditions, such as bone marrow, organ and tissue transplant rejection. Pharmaceutical compositions and methods of use are included.

  本发明涵盖式I的化合物：以及其药学上可接受的盐和水合物。该化合物可用于治疗免疫介导的疾病和病状，例如骨髓、器官和组织移植排斥。还包括制药组合物和使用方法。
• Edg receptor agonists
  申请人：Bugianesi L. Robert

  公开号：US20050033055A1

  公开（公告）日：2005-02-10

  The present invention encompasses compounds of Formula 1: as well as the pharmaceutically acceptable salts and hydrates thereof. The compounds are useful for treating immune mediated diseases and conditions, such as bone marrow, organ and tissue transplant rejection. Pharmaceutical compositions and methods of use are included.

  本发明涵盖公式1的化合物，以及其药学上可接受的盐和水合物。这些化合物可用于治疗免疫介导的疾病和病况，例如骨髓、器官和组织移植排斥。还包括制药组合物和使用方法。
• Selective S1P1/Edg1 receptor agonists
  申请人：——

  公开号：US20040058894A1

  公开（公告）日：2004-03-25

  The present invention encompasses a method of treating an immunoregulatory abnormality in a mammalian patient in need of such treatment comprising administering to said patient a compound which is an agonist of the S1P 1 /Edg1 receptor in an amount effective for treating said immunoregulatory abnormality, wherein said compound possesses a selectivity for the S1P1/Edg1 receptor over the S1PR 3 /Edg3 receptor, said compound administered in an amount effective for treating said immunoregulatory abnormality. Pharmaceutical compositions and methods of use are included.

  本发明涵盖了一种治疗哺乳动物患者免疫调节异常的方法，包括向所述患者施用一种化合物，该化合物是S1P1/Edg1受体的激动剂，其剂量足以治疗所述免疫调节异常，其中所述化合物对S1P1/Edg1受体具有选择性，而非S1PR3/Edg3受体，所述化合物的剂量足以治疗所述免疫调节异常。药物组合物和使用方法也包括在内。