4-(dodecyloxy)-N-((4-(dodecyloxy)phenyl)carbamothioyl)benzamide | 1276541-59-3

• 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-(dodecyloxy)-N-((4-(dodecyloxy)phenyl)carbamothioyl)benzamide
• CAS: 1276541-59-3
• 化学式: C₃₈H₆₀N₂O₃S
• 分子量: 624.972
• InChiKey: AOVDCLQPQSVPEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.41
• 重原子数：
  44.0
• 可旋转键数：
  26.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  59.59
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4-(dodecyloxy)-N-((4-(dodecyloxy)phenyl)carbamothioyl)benzamide 、 在 potassium carbonate 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以53%的产率得到
  参考文献：
  名称：

  调节钯（II）金属成矿物质的液晶性质：带有N-苯甲酰基硫脲衍生物的环钯配合物中杆状到盘状转变的研究

  摘要：

  与非对称二聚液晶席夫碱α-（4-氰基联苯-4'-基氧基）-ω-（4-正癸氧基苯胺苄叉基-4'-氧基）己烷和烷氧基取代的新环金属化钯（II）配合物设计并制备了N-苯甲酰基硫脲（BTU）衍生物作为辅助配体，目的是研究增加脂肪族链数对液晶相分子结构的影响。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。从层状结构（在BTU配体上具有两个脂族链的复合物3a）到柱状组织（复合物3b和3c）的过渡 这些钯（II）配合物分别在BTU配体上具有3条和4条链，这与分子外围末端链数量的增加有关。

  DOI：

  10.1016/j.molliq.2017.08.013
• 作为产物：
  描述：

  4-十二烷氧基苯甲酸 在 氯化亚砜 作用下， 以 乙腈 为溶剂， 反应 10.5h， 生成 4-(dodecyloxy)-N-((4-(dodecyloxy)phenyl)carbamothioyl)benzamide
  参考文献：
  名称：

  Structure–property correlation of benzoyl thiourea derivatives as organogelators

  摘要：

  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.

  DOI：

  10.1016/j.molstruc.2012.07.040

文献信息

• Cyclometalated palladium(II) metallomesogens with Schiff bases and N -benzoyl thiourea derivatives as co-ligands
  作者：Monica Ilis、Dan Batalu、Iuliana Pasuk、Viorel Cîrcu

  DOI：10.1016/j.molliq.2017.02.114

  日期：2017.5

  Two series of cyclometalated palladium(II) complexes based on Schiff bases and N-benzoylthiourea (BTU) ligands having four alkoxy groups at their periphery, with different number of carbon atoms, have been designed and prepared. The liquid crystalline behavior of these palladium(II) complexes was investigated by a combination of polarized optical microscopy (POM), differential scanning calorimetry

  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。
• Mesomorphic behaviour of N-benzoyl-N′-aryl thioureas liquid crystalline compounds
  作者：Monica Iliş、Madalina Bucos、Florea Dumitraşcu、Viorel Cîrcu

  DOI：10.1016/j.molstruc.2010.11.037

  日期：2011.2

  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.