1-(decyloxy)-4-isocyanobenzene | 178864-65-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(decyloxy)-4-isocyanobenzene
• 英文别名: 4-isocyano-1-decyloxybenzene；1-Decoxy-4-isocyanobenzene
• CAS: 178864-65-8
• 化学式: C₁₇H₂₅NO
• 分子量: 259.392
• InChiKey: RKLDGMVUNDPHGQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  19
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  13.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  pentafluorophenyl(tetrahydrothiophene)gold(I) 、 1-(decyloxy)-4-isocyanobenzene 以 二氯甲烷 为溶剂， 以65%的产率得到[(C₆F₅Au)(µ-1-(decyloxy)-4-isocyanophenyl)]
  参考文献：
  名称：

  Aggregation-induced emission (AIE) behavior and thermochromic luminescence properties of a new gold(i) complex

  摘要：

  据报道，一种新的金复合物显示出 AIE 效应以及热致变色荧光开关。这一有趣的现象归因于分子间 Au⋯Au 相互作用的变化和纳米聚集体的形成。

  DOI：

  10.1039/c3cc00157a
• 作为产物：
  描述：

  对氨基苯酚 在 三光气 、 sodium formate 、 三乙胺 、 potassium hydroxide 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 15.0h， 生成 1-(decyloxy)-4-isocyanobenzene
  参考文献：
  名称：

  Aggregation-induced emission (AIE) behavior and thermochromic luminescence properties of a new gold(i) complex

  摘要：

  据报道，一种新的金复合物显示出 AIE 效应以及热致变色荧光开关。这一有趣的现象归因于分子间 Au⋯Au 相互作用的变化和纳米聚集体的形成。

  DOI：

  10.1039/c3cc00157a

文献信息

• Liquid-Crystalline Mono- and Dinuclear (Perhalophenyl)gold(I) Isocyanide Complexes
  作者：Rocio Bayón、Silverio Coco、Pablo Espinet、César Fernández-Mayordomo、José M. Martín-Alvarez

  DOI：10.1021/ic960917s

  日期：1997.5.1

  Rodlike gold(I) and gold(III) complexes [AuR(C drop N(C6H4)(m)OCnH2n+1-p)] (m = 1, n = 10, R = C6F5; m = 2, n = 4, 6, 8, 10, 12, R = C6F5, C6F4Br-o, C6F4Br-p), [(mu-4,4'-C6F4C6F4)AuC drop N(C6H4)(m)OCnH2n+1}(2)] (m = 1, 2; n = 4, 6, 8, 10, 12), [AuRI2(C drop NC6H4C6H4OCnH2+1-p)] (R = C6F5, n = 8; R = C6F4Br-o, n = 10), and [(mu-4,4'-C6F4C6F4)AuX2C drop N(C6H4)(m)OCmH2n+1}(2)] (m = 1, 2; n = 4, 6, 8, 10, 12) have been prepared and their liquid crystal behavior has been studied. The gold(III) compounds are not mesomorphic, but all the perhalo-gold(I) derivatives described are liquid crystals except the phenyl isocyanide gold(I) derivative [Au(C6F5)(C drop NC6H4-OC10H21-p)]. The mononuclear derivatives show only a nematic (N) phase when the isocyanides have a short tail (n = 4), N and smectic A phases (S-A) when the isocyanides have an intermediate tail (n = 6, 8), and only S-A phases for longer chains. Their thermal stability is high, even in the isotropic state. The variation in transition temperatures is as follows: C6F4Br-p greater than or equal to C6F5 > C6F4Br-o when n less than or equal to 6 and C6F4Br-p > C6F4Br-o > C6F5 for n greater than or equal to 8. This behavior is understood on the basis of electronic and steric factors. The dinuclear compounds [(mu-4,4'-C6F4C6F4)AuC drop N(C6H4)(m)OCnH2n+1}(2) display only N mesophases and all the biphenylisocyanide derivatives and phenyl isocyanide compounds with n less than or equal to 6 undergo some decomposition upon reaching the clearing point to the isotropic state.
• Mesogenic Palladium Complexes with Pincer Ligands Derived from Dipicolinic Acid
  作者：Pablo Espinet、Esther García-Orodea、Jesús A. Miguel

  DOI：10.1021/ic0001457

  日期：2000.8.1

  4-Substituted pyridine-2,6-dicarboxylic acids, (E)-dipicH(2) and 4-substituted pyridine-2,6-bis(thiocarboxylic) acids, (E)-pdtcH(2), (E = OCnH2n+1, SCnH2n+1) have been synthesized and used as O,N,O- and S,N,S-pincer ligands with palladium. In the fourth coordination site the complexes bear 4-decyloxy-4'-stilbazole (L-1), 4-decyloxy-N-(4-pyridylmethylene)anilines (L-2), decyl 4-pyridinecarboxylate (L-3), 4-(4'-decyloxyphenyl)pyridinecarboxylate (L-4), 4-(3',4',5'-tridecyloxybenzyl)pyridinecarboxylate (L-5), 4-isocyano-1-decyloxybenzene (L-6), or 4-isocyano-4'-decyloxybiphenyl (L-7). Thermotropic mesomorphism is observed for the (E)-dipic complexes with L-5 and n = 12, which display columnar phases. The complexes with S,N,S-pincers show an important depression in the melting point compared to their O,N,O homologues and this change gives rise to mesomorphic materials (Sc). However, in the case of L5 the mesomorphic behavior observed for the O,N,O derivative is lost in its S,N,S analogue. The alkylsulfanyl compounds exhibit lower transition temperatures and wider mesophase ranges than their alkoxy analogues.