4-[(6-hydroxyhexyl)oxy]-3,5-dimethoxybenzaldehyde | 154786-34-2

• 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: 4-[(6-hydroxyhexyl)oxy]-3,5-dimethoxybenzaldehyde
• 英文别名: 4-(6-hydroxyhexoxy)-3,5-dimethoxybenzaldehyde
• CAS: 154786-34-2
• 化学式: C₁₅H₂₂O₅
• 分子量: 282.337
• InChiKey: VHGGJMZOAKLRMB-UHFFFAOYSA-N

物化性质

• 沸点：
  444.9±45.0 °C(predicted)
• 密度：
  1.115±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  20
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  65
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-[(6-hydroxyhexyl)oxy]-3,5-dimethoxybenzaldehyde 在 tetrachlorobis(tetrahydrofuran)titanium(IV) 、 PPh₃-resin 、 偶氮二甲酸二苄酯 、 锌 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 70.0h， 生成 (2Z)-6,21-dimethoxy-8,15-dioxatricyclo[14.2.2.24,7]docosa-1(19),2,4(22),5,7(21),16(20),17-heptaene
  参考文献：
  名称：

  Stilbenophane Analogues of Deoxycombretastatin A-4

  摘要：

  A new family of polyoxygenated stilbenophanes has been synthesized as conformationally restricted analogues of antimitotic combretastatins. By means of the McMurry olefination process, compounds derived from diethyleneglycol and 1,6-hexanediol were obtained, whereas Grubbs'catalyst failed in producing the ring-closing metathesis to this kind of macrocyclic products.

  DOI：

  10.1021/jo0508393
• 作为产物：
  描述：

  6-氯-1-己醇 、 丁香醛 生成 4-[(6-hydroxyhexyl)oxy]-3,5-dimethoxybenzaldehyde
  参考文献：
  名称：

  PHOTOREACTIVE COMPOUNDS

  摘要：

  本发明涉及光反应性化合物，特别适用于液晶对准材料的制作。

  公开号：

  US20140192305A1

文献信息

• Synthesis and Conformational Analysis of Macrocyclic Dihydroxystilbenes Linked between thepara–para Positions
  作者：Carmen Mateo、Vilmarí López、Manuel Medarde、Rafael Peláez

  DOI：10.1002/chem.200700323

  日期：2007.8.27

  3-oxapentamethylene or hexamethylene chain. The key macrocyclization step was achieved in moderate yields by using an intramolecular McMurry pinacol coupling of linked aromatic dialdehydes, except for the nitro-substituted compounds. The relative stereochemistry of the isomeric pinacols was determined by a combination of spectroscopic, chemical derivatization, and molecular-modeling approaches. The NMR

  已经合成了新的二苯乙烷家族，作为抗有丝分裂康维他汀的构象受限类似物。两个苯环通过3-氧杂戊基亚甲基或六亚甲基链连接在对苯酚位置之间。通过使用连接的芳族二醛的分子内McMurry频哪醇偶联，除硝基取代的化合物外，以中等收率实现了关键的大环化步骤。异构体频哪醇的相对立体化学是通过光谱学，化学衍生化和分子建模方法的组合来确定的。这些化合物的核磁共振谱（带有多加氧的冠环烷骨架）表明相对于其母体康他汀具有严格的构象限制。
• New para-para Stilbenophanes: Synthesis by McMurry Coupling, Conformational Analysis and Inhibition of Tubulin Polymerisation
  作者：Raquel Álvarez、Vilmarí López、Carmen Mateo、Manuel Medarde、Rafael Peláez

  DOI：10.1002/chem.201002869

  日期：2011.3.14

  The synthesis of a new family of methoxy‐substituted [2.7]‐ and [2.8]paracyclophanes linked by 3‐oxapentamethylene‐1,5‐dioxy and hexamethylene‐1,6‐dioxy bridges has been carried out by using the McMurry methodology. Related indole compounds were also synthesised. Olefin‐to‐diol ratios depended on the bridge length, the structure of the aromatic ring and the reaction conditions. Macrocyclisation, the

  通过使用McMurry方法，合成了由3-氧杂戊基亚甲基-1,5-二氧基和六亚甲基-1,6-二氧基桥连接的新的甲氧基取代的[2.7]-和[2.8]对环环烷家族。还合成了相关的吲哚化合物。烯烃与二醇的比例取决于桥的长度，芳环的结构和反应条件。如通过NMR光谱法和根据理论计算所观察到的，大环化，甲氧基取代基和刚性吲哚部分的存在限制了构象平衡。合成的化合物显示微摩尔微管蛋白聚合抑制活性。与康布雷他汀，密切相关的斯蒂芬类相比，对大环化产生的微管蛋白聚合抑制活性的构象影响
• A switchable [2]rotaxane with two active alkenyl groups
  作者：Xiu-Li Zheng、Rong-Rong Tao、Rui-Rui Gu、Wen-Zhi Wang、Da-Hui Qu

  DOI：10.3762/bjoc.14.181

  日期：——

  A novel functional [2]rotaxane containing two alkenyl bonds was designed, synthesized and characterized by 1H, 13C NMR spectroscopy and HRESI mass spectrometry. The introduction of alkenyl bonds endowed the [2]rotaxane a fascinating ability to react with versatile functional groups such as alkenyl and thiol functional groups. The reversible shuttling movement of the macrocycle between two different

  通过1H，13C NMR光谱和HRESI质谱设计，合成和表征了一种新型的含有两个烯基键的[2]轮烷。烯基键的引入使[2]轮烷具有与多种官能团如烯基和硫醇官能团反应的引人入胜的能力。大环在分子线上两个不同识别位点之间的可逆穿梭运动可以由外部酸和碱驱动。这种带有轮烷的官能团为制备刺激反应性聚合物提供了强大的平台。
• Photoreactive compounds
  申请人：Lincker Frederic

  公开号：US09366906B2

  公开（公告）日：2016-06-14

  The present invention relates to photoreactive compounds that are particularly useful in materials for the alignment of liquid crystals.

  本发明涉及光敏化合物，特别适用于液晶定向材料。
• Bifunctional [c2]Daisy-Chains and Their Incorporation into Mechanically Interlocked Polymers
  作者：Erin N. Guidry、Jean Li、J. Fraser Stoddart、Robert H. Grubbs

  DOI：10.1021/ja0725100

  日期：2007.7.1

  A strategy for the formation of mechanically interlocked polymers is presented. Ring-closing olefin metathesis has been shown to provide a very high yielding route to [c2]daisy-chains suitably functionalized to allow their one-step conversion to bisolefins which can be used as monomers in ADMET polymerizations to afford mechanically interlocked polymers. Metathesis, in two different guises is making a hitherto unreachable goal in synthesis a reality.