1-isocyano-4-(octyloxy)benzene | 178864-64-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-isocyano-4-(octyloxy)benzene
• 英文别名: 1-Isocyano-4-octoxybenzene
• CAS: 178864-64-7
• 化学式: C₁₅H₂₁NO
• 分子量: 231.338
• InChiKey: UFCVWVAIZACXFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 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：

  1-isocyano-4-(octyloxy)benzene 、 以 甲苯 为溶剂， 以80%的产率得到
  参考文献：
  名称：

  炔基异氰化物金介元作为金纳米粒子的前体

  摘要：

  金纳米颗粒（Au NPs）是使用简单的热解法合成的，无论是从中间相还是从甲苯溶液中，生成介晶炔基-异氰化物金络合物[Au（C≡C–C 6 H 4 –C m H 2 m +1）（ C≡N–C 6 H 4 –O–C n H 2 n +1）]。中间相的热分解比溶液的热分解要慢得多，并且会导致纳米颗粒的尺寸分布更加不均匀。在甲苯溶液中工作，可以通过调节前体中存在的配体的链长将纳米粒子的尺寸从约2纳米调节至约20纳米。分析了不同的实验条件以揭示控制金纳米颗粒形成的过程。关于添加配体或鼓泡氧气的影响的实验表明，热分解是一个双分子过程，该过程从异氰化物配体的解配作用开始，从而使炔基与[R–C≡C–C≡C–R]发生氧化偶联并将金（I）还原为金（0）作为纳米粒子。获得的纳米颗粒在异氰酸酯（CNR）氧化为异氰酸酯（OCNR）的过程中起到催化剂的作用，

  DOI：

  10.1021/ic201210p
• 作为产物：
  描述：

  N-(4-(octyloxy)phenyl)formamide 在 二氯磷酸苯酯 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以10.8 g的产率得到1-isocyano-4-(octyloxy)benzene
  参考文献：
  名称：

  MARINE SESSILE ORGANISM-REPELLING COMPOSITION

  摘要：

  一个由以下公式表示的化合物：其中R从苯甲基、C3-11烷基、C3-11烯基、C2-9支链烯基、C3-9支链烷基和—CH2OAc组成的群体中选择。

  公开号：

  US20180072657A1

文献信息

• Espinet, Pablo; Lorenzo, Cristina; Miguel, Jesús A., Inorganic Chemistry, 1994, vol. 33, # 9, p. 2052 - 2055
  作者：Espinet, Pablo、Lorenzo, Cristina、Miguel, Jesús A.、Bois, Claudette、Jeannin, Yves

  DOI：——

  日期：——
• Synthesis and Second-Order Nonlinear Optical Properties of New Palladium(II) and Platinum(II) Schiff-Base Complexes
  作者：Julio Buey、Silverio Coco、Laura Díez、Pablo Espinet、José M. Martín-Alvarez、Jesús A. Miguel、Santiago García-Granda、Ana Tesouro、Isabelle Ledoux、Joseph Zyss

  DOI：10.1021/om9708900

  日期：1998.4.1

  The second harmonic generations of the dimeric complexes [M-2(mu-X)(mu-SCnH2n+1)(RC6H3CH=NC6H4R')] (M = Pd, Pt; X = Cl, CH3COO, (R)-CH3CHClCOO; R, R' = NO2 and OC8H17 or N(C4H9)(2); n = 4 or 8) and the monomeric complexes [Pd(RC6H3CH=NC6H4R')L] (L = C5H5 (Cp), CH3COCHCOCH3 (acac)) and [Pd(RC6H3CH=NC6H4R')(CNC6H4R")Cl] (R" = NO2, OCnH2n+1, N(CmH2m+1)(2); n = 4 or 8; m = 1 or 4) have been measured, and the influence of the position of donor and acceptor groups is discussed and compared with that of the free imine ligands. The value of the hyperpolarizability (beta) is raised only when a strong donor group is located in the cyclometalated ring. Moreover, the beta value has been enhanced, too, in the cyclopentadienyl monomer complex by as much as 80% with respect to the beta value of the corresponding free imine. The molecular structure of [Pd-3(mu-Cl)(mu-SC4H9)(N(C4H9)(2)C6H3CH=NC6H4NO2] has been determined by an X-ray diffraction analysis.
• 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.