4-(octadecyloxy)benzonitrile | 139536-08-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-(octadecyloxy)benzonitrile
• 英文别名: 4-(Octadecyloxy)-benzonitrile；4-octadecoxybenzonitrile
• CAS: 139536-08-6
• 化学式: C₂₅H₄₁NO
• 分子量: 371.607
• InChiKey: GCDDYRLNVQNXHM-UHFFFAOYSA-N

物化性质

• 熔点：
  65.5-66.5 °C
• 沸点：
  491.5±18.0 °C(Predicted)
• 密度：
  0.92±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10.6
• 重原子数：
  27
• 可旋转键数：
  18
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(octadecyloxy)benzonitrile 在 sodium hydroxide 作用下， 以 乙二醇 为溶剂， 反应 30.0h， 以39%的产率得到4-N-十八氧基苯甲酸
  参考文献：
  名称：

  Ahn, Seokhoon; Morrison, Christine N.; Matzger, Adam J., Journal of the American Chemical Society, 2009, vol. 131, p. 7946 - 7947

  摘要：

  DOI：
• 作为产物：
  描述：

  4-羟基苯甲腈 、 硬脂基溴 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 以75%的产率得到4-(octadecyloxy)benzonitrile
  参考文献：
  名称：

  Amphiphile self-assembly dynamics at the solution-solid interface reveal asymmetry in head/tail desorption

  摘要：

  基本吸附和解吸步骤的不对称动力学在溶液/固体界面上驱动自组装。

  DOI：

  10.1039/c8cc04465a

文献信息

• [EN] HEAT-STABLE DIKETOPYRROLOPYRROLE PIGMENT MIXTURES<br/>[FR] MELANGES DE PIGMENTS DE DIKETOPYRROLOPYRROLE THERMOSTABLES
  申请人：CIBA SC HOLDING AG

  公开号：WO2005040284A1

  公开（公告）日：2005-05-06

  The present invention relates to a process for the preparation of a mixture comprising at least two structurally different diketopyrrolopyrrole pigments of formula (1) wherein A1 and A2 are each independently of the other an aromatic or heteroaromatic radical, by reacting a succinic acid ester with at least one unsubstituted or substituted aromatic or heteroaromatic nitrile, which process comprises carrying out the reaction in the presence of at least one compound of formula (2) wherein A is an aromatic or heteroaromatic radical, R3 is hydrogen, halogen, methyl, methoxy, -CF3 or -CN, R4 is a linear or, from C3 upwards, optionally branched C1-C30alkyl, C6-C10aryl or C6-C24aralkyl radical, X is -S-, -0-, -CR5R5'-, -COO-, -CONR5-, -SO-, SO2-, -SO2NR5- or -NR5 -and R5 and R5'are each independently of the other hydrogen or a linear or, from C3 upwards, optionally branched C1-C30alkyl, C6-C10aryl or C6-C24aralkyl radical, to the use of such a mixture in the colouring of organic material and in cosmetics, and also to novel diketopyrrolopyrrole pigment mixtures.

  本发明涉及一种制备包含至少两种结构不同的二酮吡咯吡咯色素的混合物的过程，其中式（1）中的A1和A2各自独立地是芳香或杂芳基团，通过将琥珀酸酯与至少一种未取代或取代的芳香或杂芳腈反应来实现，所述过程包括在式（2）中至少一化合物的存在下进行反应，其中A为芳香或杂芳基团，R3为氢、卤素、甲基、甲氧基、-CF3或-CN，R4为线性的或者从C3开始，可选地支链的C1-C30烷基、C6-C10芳基或C6-C24芳基烷基基团，X为-S-、-O-、-CR5R5'-、-COO-、-CONR5-、-SO-、SO2-、-SO2NR5-或-NR5，R5和R5'各自独立地是氢或线性的或者从C3开始，可选地支链的C1-C30烷基、C6-C10芳基或C6-C24芳基烷基基团，以及将这种混合物用于有机材料的着色和化妆品中，以及新型二酮吡咯吡咯色素混合物。
• Shape-Persistent and Shape-Adaptable Macrocycles Based on Restricted Rotation: Studies Building Toward ‘Macromolecular Playdough’
  作者：Ken Shimizu、Yong Chong

  DOI：10.1055/s-2002-32539

  日期：——

  A rigid 48-membered macrocycle 1 was synthesized and studied that comprises two atropisomeric N,N′-diarylnaphthalenediimide building blocks that adopt stable syn and anti conformations due to restricted rotation about two Caryl-Nimide bonds. The resulting macrocycle maintains three distinct conformations: anti/anti, syn/anti and syn/syn conformers that are stable and separable at room temperatures, and each with distinct shapes and sizes as measured by GPC. At elevated temperatures, macrocycle 1 was conformationally flexible and showed interconversion of the respective isomers. Conformational preferences established at higher temperatures were preserved on cooling to room temperature as the restricted rotation was reestablished and the macrocycle becomes conformationally rigid.

  合成并研究了刚性的 48 元大环 1，它包含两个阻转异构体 N,N'-二芳基萘二亚胺结构单元，由于两个芳基-酰亚胺键的旋转受到限制，它们采用稳定的顺式和反式构象。 所得大环保持三种不同的构象：反/反、顺/反和顺/顺构象，它们在室温下稳定且可分离，并且通过GPC测量，每种构象都具有不同的形状和尺寸。在高温下，大环 1 具有构象柔性，并显示出各个异构体的相互转化。在冷却至室温时，随着限制旋转的重新建立并且大环变得构象刚性，在较高温度下建立的构象偏好得以保留。
• Heat-stable diketopyrrolopyrrole pigment mixtures
  申请人：Wallquist Olof

  公开号：US20080287689A1

  公开（公告）日：2008-11-20

  The present invention relates to a process for the preparation of a mixture comprising at least two structurally different diketopyrrolopyrrole pigments of formula wherein A 1 and A 2 are each independently of the other an aromatic or heteroaromatic radical, by reacting a succinic acid ester with at least one unsubstituted or substituted aromatic or heteroaromatic nitrile, which process comprises carrying out the reaction in the presence of at least one compound of formula wherein A is an aromatic or heteroaromatic radical, R 3 is hydrogen, halogen, methyl, methoxy, —CF 3 or —CN, R 4 is a linear or, from C 3 upwards, optionally branched C 1 -C 30 alkyl, C 6 -C 10 aryl or C 6 -C 24 aralkyl radical, X is —S—, —O—, —CR 5 R 5 ′—, —COO—, —CONR 5 —, —SO—, SO 2 —, —SO 2 NR 5 — or —NR 5 — and R 5 and R 5 ′ are each independently of the other hydrogen or a linear or, from C 3 upwards, optionally branched C 1 -C 30 alkyl, C 6 -C 10 aryl or C 6 -C 24 aralkyl radical, to the use of such a mixture in the colouring of organic material and in cosmetics, and also to novel diketopyrrolopyrrole pigment mixtures.

  本发明涉及制备至少两种结构不同的二酮吡咯烷酮颜料混合物的方法，其化学式为其中A1和A2分别独立地为芳香或杂芳基团，通过将琥珀酸酯与至少一种未取代或取代的芳香或杂芳基腈反应来实现反应，该过程包括在至少一种化合物存在下进行反应，该化合物的化学式为其中A为芳香或杂芳基团，R3为氢、卤、甲基、甲氧基、—CF3或—CN，R4为线性或从C3开始的可选支链C1-C30烷基、C6-C10芳基或C6-C24芳基烷基基团，X为—S—、—O—、—CR5R5′—、—COO—、—CONR5—、—SO—、SO2—、—SO2NR5—或—NR5—，R5和R5′各自独立地为氢或线性或从C3开始的可选支链C1-C30烷基、C6-C10芳基或C6-C24芳基烷基基团。本发明还涉及在有机材料和化妆品的着色中使用这种混合物以及新的二酮吡咯烷酮颜料混合物。
• Liquid Crystalline Symmetrical 3,6-Diaryl-1,2,4,5-Tetrazines
  作者：Farid Fouad、Brett Ellman、Scott Bunge、Patrik Miller、Robert Twieg

  DOI：10.1080/15421406.2013.791585

  日期：2013.10.1

  A new series of symmetrical 3,6-diphenyl-1,2,4,5-tetrazines with four alkoxy tails were synthesized along with new examples with two alkoxy tails. Mesogenic properties were studied by differential scanning calorimetry and polarizing optical microscopy. The influence of the number and length of alkoxy chains attached to the 3,6-diphenyl-1,2,4,5-tetrazine core is discussed. Compared with the two-tailed tetrazines, 6 the four-tailed liquid crystalline tetrazines, 5e-g possess lower smectic-C phase transitions, and clearing point temperatures.
• Honda, Yoshihiro; Kurihara, Kazue; Kunitake, Toyoki, Chemistry Letters, 1991, # 4, p. 681 - 684
  作者：Honda, Yoshihiro、Kurihara, Kazue、Kunitake, Toyoki

  DOI：——

  日期：——