4-amino-4′-pentyldiphenylacetylene | 145349-74-2

• 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-amino-4′-pentyldiphenylacetylene
• 英文别名: 1-(4-Aminophenyl)-2-(4-pentylphenyl)ethyne；4-((4-pentylphenyl)ethynyl)aniline；4-[2-(4-Pentylphenyl)ethynyl]aniline
• CAS: 145349-74-2
• 化学式: C₁₉H₂₁N
• 分子量: 263.382
• InChiKey: GWSOIPJYIZMXEI-UHFFFAOYSA-N

物化性质

• 沸点：
  422.5±38.0 °C(Predicted)
• 密度：
  1.04±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  硫光气 、 4-amino-4′-pentyldiphenylacetylene 在 calcium carbonate 作用下， 以 氯仿 、 水 为溶剂， 反应 1.5h， 以81%的产率得到1-(4-isothiocyanatophenyl)-2-(4-pentylphenyl)ethyne
  参考文献：
  名称：

  Synthesis, mesomorphic behaviour and optical anisotropy of some novel materials for nematic mixtures of high birefringenceElectronic supplementary information (ESI) available: experimental procedures for all compounds not already given in this paper. See http://www.rsc.org/suppdata/jm/b4/b400630e/

  摘要：

  结构单元包括核心单元（如苯基、萘基和噻吩基）、连接基团（如乙炔基）、末端取代基（如氰基、异硫氰酸基和氟基）以及侧向氟取代基，已被引入到旨在赋予液晶混合物高双折射率的新材料中。这些材料均通过涉及钯催化的芳基硼酸交叉偶联反应的汇聚合成方法制备而成。材料的介晶行为作为纯材料和混合物进行了研究；一些材料被发现具有极高的液晶相稳定性，而另一些则为非介晶性。材料在液晶宿主混合物中被评估其光学各向异性，所有材料均显示出有希望的高值。

  DOI：

  10.1039/b400630e
• 作为产物：
  描述：

  4-戊基苯乙炔 、 对碘苯胺 在 正丁基锂 、 zinc(II) chloride 、 四(三苯基膦)钯 作用下， 以 四氢呋喃 为溶剂， 生成 4-amino-4′-pentyldiphenylacetylene
  参考文献：
  名称：

  Synthesis, mesomorphic behaviour and optical anisotropy of some novel materials for nematic mixtures of high birefringenceElectronic supplementary information (ESI) available: experimental procedures for all compounds not already given in this paper. See http://www.rsc.org/suppdata/jm/b4/b400630e/

  摘要：

  结构单元包括核心单元（如苯基、萘基和噻吩基）、连接基团（如乙炔基）、末端取代基（如氰基、异硫氰酸基和氟基）以及侧向氟取代基，已被引入到旨在赋予液晶混合物高双折射率的新材料中。这些材料均通过涉及钯催化的芳基硼酸交叉偶联反应的汇聚合成方法制备而成。材料的介晶行为作为纯材料和混合物进行了研究；一些材料被发现具有极高的液晶相稳定性，而另一些则为非介晶性。材料在液晶宿主混合物中被评估其光学各向异性，所有材料均显示出有希望的高值。

  DOI：

  10.1039/b400630e

文献信息

• Anisotropic organic compounds
  申请人：The Secretary of State for Defence in her Britannic Majesty's Government

  公开号：US05888421A1

  公开（公告）日：1999-03-30

  ##STR1## The invention describes liquid crystalline compounds or formula (I), where A, D and G are independently selected from phenyl, thiophene, hydrogenated phenyl, chlorinated phenyl and fluorinated phenyl, B and E are independently selected from a single bond C.dbd..notident.C. C.tbd.C.C00, azoxy and diazo, k and m are independently selected from 1 and 0, such that m+n is 1 or 2, and R.sub.1 and R.sub.2 are independently selected from R, R0, alkynyl, thioalkyl, hydrogen, CN, NCS and SCN; provided that at least one of R.sub.1 and R.sub.2 is selected from CN, NCS and SCN and that at least one of A, D and G is phenyl; and excluding where at least one of R.sub.1 and R.sub.2 is independently selected as CN and one of A, D or G is not thiophene, and where m is 0, A, and D are phenyl, B is a single bond and only one of R.sub.1 or R.sub.2 is NCS. Also described are compounds suitable for inclusion in a device utilizing pretransitional characteristics of liquid crystalline materials in the isotropic phase, of general formula (II) where J and Y are independently selected from phenyl, thiophene, hydrogenated phenyl, chlorinated phenyl and fluorinated phenyl, X is selected from C.dbd..notident.C. C.tbd.C.COO azoxy and diazo, k is 1 or 0 and R.sub.3 and R.sub.4 are independently selected from R, RO, alkynyl, thioalkyl, hydrogen, CN, NCS and SCN; provided that at least one of R.sub.3 and R.sub.4 is selected from CN, NCS and SCN and that at least one of J and Y is phenyl.

  该发明描述了液晶化合物或式(I)，其中A、D和G分别选自苯基、噻吩、氢化苯基、氯化苯基和氟化苯基，B和E分别选自单键C.dbd..notident.C、C.tbd.C.COO、偶氮基和重氮基，k和m分别选自1和0，使得m+n为1或2，R.sub.1和R.sub.2分别选自R、R0、炔基、硫代烷基、氢、CN、NCS和SCN；条件是R.sub.1和R.sub.2中至少有一个选自CN、NCS和SCN，且A、D和G中至少有一个为苯基；并且排除当R.sub.1和R.sub.2中至少有一个独立选择为CN，且A、D或G中至少有一个不是噻吩时，以及当m为0时，A和D为苯基，B为单键，且R.sub.1或R.sub.2仅有一个为NCS。还描述了适合用于利用液晶材料在各向同性相中的前转变特性的装置中的化合物，其通式为(II)，其中J和Y分别选自苯基、噻吩、氢化苯基、氯化苯基和氟化苯基，X选自C.dbd..notident.C、C.tbd.C.COO、偶氮基和重氮基，k为1或0，R.sub.3和R.sub.4分别选自R、RO、炔基、硫代烷基、氢、CN、NCS和SCN；条件是R.sub.3和R.sub.4中至少有一个选自CN、NCS和SCN，且J和Y中至少有一个为苯基。
• INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER
  申请人：Pauls Heinz W.

  公开号：US20100105900A1

  公开（公告）日：2010-04-29

  A CPT inhibitor compound is represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof: or a pharmaceutically acceptable salt thereof. A pharmaceutical composition comprises a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof. A method of treating a subject having cancer comprises administering to the subject a therapeutically effective amount of a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof.

  一种CPT抑制剂化合物由结构式(I)或其药学上可接受的盐所代表：或其药学上可接受的盐。一种制药组合物包括由结构式(I)或其药学上可接受的盐所代表的化合物。一种治疗患有癌症的受试者的方法包括向该受试者施用由结构式(I)或其药学上可接受的盐所代表的治疗有效量的化合物。
• Tolane liquid crystals with piperidine, 3,3,4,4,5,5-hexafluoropiperidine as end group: Synthesis and properties
  作者：Dezhao Zhu、Fengying Hong、Hong Zhang、Zhengce Xia、Hongxiang Wu、Qiwei Jiang、Hui Wang、Zhuo Zeng

  DOI：10.1016/j.molliq.2015.01.043

  日期：2015.4

  A series of new tolane liquid crystals with piperidine and 3,3,4,4,5,5-hexafluoropiperidine as their terminal groups were synthesized via Sonagashira reaction by using Pd(PPh3)(2)Cl-2/Cul as the catalyst. Their structures were modified by varying the terminal N-heterocycles and/or the length of the alkyl/alkoxy chains on the benzene ring. Most of these new compounds exhibit Smectic B or G mesophases, good thermal stabilities and high clearing points. The molecule C(2)H(5)O6F with 3,3,4,4,5,5-hexafluoropiperidine as the end group has a broader HOMO-LUMO energy gap and higher oxidation potential than piperidine derivative C(2)H(5)O6H. The result indicates that the oxidation resistance of the tolane liquid crystals was improved by introducing the terminal fluorinated piperidine. (C) 2015 Elsevier B.V. All rights reserved.
• ANISOTROPIC ORGANIC COMPOUNDS
  申请人：QinetiQ Limited

  公开号：EP0530338B1

  公开（公告）日：2002-05-02
• US5888421A
  申请人：——

  公开号：US5888421A

  公开（公告）日：1999-03-30