4-octoxy-N-[(4-octoxyphenyl)carbamothioyl]benzamide | 1276541-57-1

• 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-octoxy-N-[(4-octoxyphenyl)carbamothioyl]benzamide
• CAS: 1276541-57-1
• 化学式: C₃₀H₄₄N₂O₃S
• 分子量: 512.757
• InChiKey: XLQDODJCKYULJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.3
• 重原子数：
  36
• 可旋转键数：
  18
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  91.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [Pd(μ-OAc)(C8H17OC6H3CHNC6H4OC8H17)]2 、 4-octoxy-N-[(4-octoxyphenyl)carbamothioyl]benzamide 在 potassium carbonate 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以67%的产率得到
  参考文献：
  名称：

  具有席夫碱和N-苯甲酰基硫脲衍生物作为共配体的环金属化钯（II）金属成矿剂

  摘要：

  基于希夫碱和氮的两个系列的环金属化钯（II）配合物设计并制备了在其外围具有四个烷氧基且碳原子数不同的-苯甲酰基硫脲（BTU）配体。通过偏振光学显微镜（POM），差示扫描量热法（DSC）和粉末X射线衍射的组合研究了这些钯（II）配合物的液晶行为，同时通过热重分析（TGA）研究了它们的热稳定性。钯（II）配合物在高达230°C的宽温度范围内具有热稳定性，根据烷氧基链长（单向或对于最长的烷基链而言），表现出对映性近晶A和C相。报道了钯（II）配合物的发光性质。这些配合物在室温下呈黄橙色固态发射，在λ处有两个发射最大值当样品在330–380 nm范围内照射时，最大波长分别在580 nm和650 nm左右，肩部在710 nm附近。

  DOI：

  10.1016/j.molliq.2017.02.114
• 作为产物：
  描述：

  4-正辛氧基苯甲酸 在 氯化亚砜 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 11.0h， 生成 4-octoxy-N-[(4-octoxyphenyl)carbamothioyl]benzamide
  参考文献：
  名称：

  Mesomorphic behaviour of N-benzoyl-N′-aryl thioureas liquid crystalline compounds

  摘要：

  A series of N-benzoyl-N'-aryl thiourea derivatives bearing alkoxy groups in terminal positions have been prepared and investigated for their potential liquid crystals properties. It was found that only the compounds which have only two alkoxy chains show calamitic mesomorphic behaviour, with nematic, smectic A and C phases being displayed. The type and stability of these mesophases are greatly influenced by the alkyl chain length. Successive introduction of additional alkoxy groups on the benzoyl moiety led to a significant decrease of the clearing points and suppression of the mesogenic character. Using of branched alkyl chain, 2-ethyl-hexyl, instead of normal alkyl group, led to the disappearance of mesogenic behaviour together with the lowering of the clearing temperature. The influence of chain length and number of chains is discussed. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2010.11.037

文献信息

• Luminescent palladium(II) metallomesogens based on cyclometalated Schiff bases and N -benzoyl thiourea derivatives as co-ligands
  作者：Monica Iliş、Marin Micutz、Viorel Cîrcu

  DOI：10.1016/j.jorganchem.2017.03.015

  日期：2017.5

  and C phases). The palladium(II) complexes are thermally stable on a broad temperature range up to about 220 °C. Interestingly, when the number of alkoxy groups on the BTU ancillary ligands was increased, the corresponding palladium(II) complexes lost their mesogenicity and only melting to the isotropic state was observed. The solid-state emission spectra of palladium(II) complexes show two maxima around

  设计并制备了基于席夫碱和N-苯甲酰硫脲（BTU）配体的发光环金属化钯（II）配合物，在它们的外围具有不同数目的烷氧基。BTU配体以去质子化的二齿形式通过O和S原子进行配位，如IR和NMR光谱数据所证实。此外，给出BTU配体的不对称结构，11 H-NMR表明仅存在两种可能的异构体之一。通过偏振光学显微镜（POM）和差示扫描量热法（DSC）的组合研究了这些钯（II）配合物的液晶行为，同时通过热重分析（TGA）研究了它们的热稳定性。钯（II）配合物的介晶行为取决于接枝在BTU衍生物（单向近晶A和C相）上的烷氧基的数量和链长。钯（II）配合物在高达约220°C的宽温度范围内具有热稳定性。有趣的是，当BTU辅助配体上的烷氧基数量增加时，相应的钯（II）配合物失去了介晶性，仅观察到熔融至各向同性状态。
• Structure–property correlation of benzoyl thiourea derivatives as organogelators
  作者：Yao-Dong Huang、Xue-Lin Dong、Li-Li Zhang、Wei Chai、Ji-Young Chang

  DOI：10.1016/j.molstruc.2012.07.040

  日期：2013.1

  A series of N-benzoyl-N'-aryl thiourea derivatives (1-4) can form stable gels from a variety of organic solvents ranging from protic to aprotic or polar to apolar at concentrations below 5 mg/mL. The gelation properties and structures of the resulting gels were investigated by H-1-NMR, FTIR, UV-vis, SEM, and XRD. The gels were anion-responsive and the driving forces for its formation were the hydrogen bonding and van der Waals interaction. The SEM images of the xerogels prepared from the organogels formed in acetonitrile, cyclohexane and acetone showed a network of elongated fibers. The results of XRD suggested that the dry gels had a layer structure. (C) 2012 Elsevier B.V. All rights reserved.
• Enhancement of smectic C mesophase stability by using branched alkyl chains in the auxiliary ligands of luminescent Pt(II) and Pd(II) complexes
  作者：Monica Iliş、Marin Micutz、Florea Dumitraşcu、Iuliana Pasuk、Yann Molard、Thierry Roisnel、Viorel Cîrcu

  DOI：10.1016/j.poly.2013.11.015

  日期：2014.2

  A novel series of Pd(II) and Pt(II) complexes based on cyclometallated imine ligands and N-benzoylthiourea (BTU) derivatives as auxiliary ligands has been prepared and their liquid crystalline properties as well as photophysical properties have been investigated. The crystal structure of one cyclometallated Pt(II) complex with N-(p-F-phenyl)-N'-benzoylthiourea as a co-ligand has been solved. The liquid crystalline properties have been investigated by a combination of DSC, POM and variable temperature powder X-ray diffraction. These new metallomesogens display either a monotropic SmC phase or both SmA and SmC phases, depending on the number of alkoxy groups attached to the imine ligand, alkyl chain length or the use of branched alkoxy terminal groups. We found that the introduction of branched alkoxy terminal groups lead to lower transition temperatures and stabilization of the SmC phase in both the Pd(II) and Pt(II) complexes. While the Pd(II) complexes display no emission, the Pt(II) complexes show good emission properties in solution, in the solid state and as a PMMA film at room temperature, and their investigation is reported. (C) 2013 Elsevier Ltd. All rights reserved.