1,2-bis(2-benzothiazolyl)benzene | 76895-89-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 1,2-bis(2-benzothiazolyl)benzene
• 英文别名: Phenylenebenzobisthiazole；2-[2-(1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole
• CAS: 76895-89-1
• 化学式: C₂₀H₁₂N₂S₂
• 分子量: 344.461
• InChiKey: MLVLNZHRNZLCPI-UHFFFAOYSA-N

物化性质

• 熔点：
  102-105 °C
• 沸点：
  554.5±60.0 °C(Predicted)
• 密度：
  1.358±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  82.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,2-bis(2-benzothiazolyl)benzene 在 硫酸 、 硝酸 作用下， 生成 1,2-bis-(6-nitro-benzothiazol-2-yl)-benzene
  参考文献：
  名称：

  Petitcolas et al., Bulletin de la Societe Chimique de France, 1949, p. 103,111

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氨基苯硫醇盐酸盐 、 邻苯二甲酰氯 生成 1,2-bis(2-benzothiazolyl)benzene
  参考文献：
  名称：

  Hofmann,A. W., Chemische Berichte, 1880, vol. 13, p. 1236

  摘要：

  DOI：

文献信息

• An Efficient Synthesis of Benzothiazoles by Direct Condensation of Carboxylic Acids with 2-Aminothiophenol under Microwave Irradiation
  作者：Asit K. Chakraborti、C. Selvam、Gurmeet Kaur、Srikant Bhagat

  DOI：10.1055/s-2004-820012

  日期：——

  Carboxylic acids are converted to benzothiazoles by direct condensation with 2-aminothiophenol under microwave irradiation in the absence of solvent.

  在没有溶剂的情况下，在微波辐射下，羧酸通过与 2-氨基苯硫酚直接缩合转化为苯并噻唑。
• Ti (IV) Complexes of Some Heterocyclic Ligands Synthesis, Characterization and Ethylene Polymerization Activity
  作者：Hamdi Elagab

  DOI：10.13005/ojc/320177

  日期：2016.3.25

  31 complexes of bis - (benzimidazole, benzothiazole and benzoxazole) compounds with Ti (IV) metal centers were synthesized, characterized, activated with methylalumoxane (MAO) and then tested for catalytic ethylene polymerization. The activities of the various catalysts were found to be functions of the hetero atoms in the ligand frameworks. The highest activity was obtained with 39 / MAO (573 kg PE / mol cat. h). The produced polyethylenes showed high molecular weights (up to 1.5 ×106 g/mol) and broad molecular weight distributions (PD = 65). This could result from different interactions of the MAO counterion with the heteroatoms of the catalyst ligand generating different active sites.

  合成了31个双-（苯并咪唑、苯并噻唑和苯并恶唑）化合物与钛（IV）金属中心的配合物，进行了表征，并用甲基铝氧烷（MAO）激活，然后测试了其在催化乙烯聚合中的活性。各种催化剂的活性被发现与配体框架中的杂原子有关。39 / MAO获得了最高活性（573 kg PE / mol cat. h）。所产生的聚乙烯具有高分子量（最高可达1.5 × 10^6 g/mol）和宽的分子量分布（PD = 65）。这可能是由于MAO反离子与催化剂配体中的杂原子之间不同的相互作用生成了不同的活性位点。
• Complexes of substituted benzothiazoles 4. Nickel(II) complexes of the bidentate benzothiazoles 1,2-bis(2-benzothiazolyl)benzene and 1,2-bis(2-benzothiazolyl)ethane
  作者：Laurence Kenneth Thompson、John Charles Thomas Rendell、George Charles Wellon

  DOI：10.1139/v82-075

  日期：1982.2.15

  2-Bis(2-benzothiazolyl)-benzene (OBT), which has an o-phenylene bridge, forms square planar derivatives with NiX2 (X = I, ClO4, BF4), octahedral derivatives with NiX2 (X = NCS, NO3), and five-coordinate derivatives with NiX2 (X = CI, Br). 1,2-Bis(2-benzothiazolyl)ethane (BBTE), which has an ethylene bridge, forms tetrahedral derivatives with NiX2 (X = CI, Br, I) and an octahedral complex with Ni(NO3)2. Although both

  比较了两种可能的双齿双苯并噻唑配体的镍配位化学。具有邻亚苯基桥的 1,2-双(2-苯并噻唑基)-苯 (OBT) 与 NiX2 (X = I, ClO4, BF4) 形成方形平面衍生物，与 NiX2 (X = NCS, NO3) 形成八面体衍生物)，以及与 NiX2 (X = CI, Br) 的五配位衍生物。具有亚乙基桥的 1,2-双(2-苯并噻唑基)乙烷 (BBTE) 与 NiX2 (X = CI, Br, I) 形成四面体衍生物，并与 Ni( )2 形成八面体配合物。尽管两种配体都能够围绕钴中心进行四面体配位，但四面体配位与 BBTE 镍配合物的明显偏好似乎不寻常。两个配体之间的唯一区别在于苯并噻唑环之间的桥连基团。
• [EN] COSMETIC COMPOSITION COMPRISING AT LEAST ONE SPECIFIC BLOCK COPOLYMER<br/>[FR] COMPOSITION COSMÉTIQUE COMPRENANT AU MOINS UN COPOLYMÈRE SPÉCIFIQUE SÉQUENCÉ
  申请人：OREAL

  公开号：WO2005110350A1

  公开（公告）日：2005-11-24

  The present invention relates to a cosmetic composition comprising, in a physiologically acceptable medium: at least one fatty phase, and at least one block copolymer of rod-coil type comprising at least one coil polymeric block structure with a variable conformation covalently bonded to at least one rod polymeric block structure with a restricted conformation.

  本发明涉及一种化妆品组合物，包括在生理可接受的介质中：至少一种脂肪相，以及至少一种由至少一个具有可变构象的卷曲聚合物块结构与至少一个具有受限构象的杆状聚合物块结构共价键合的杆卷型嵌段共聚物。
• LIGAND EXCHANGE THERMOCHROMIC SYSTEMS AND HIGH E LIGANDS FOR SAME
  申请人：Byker J. Harlan

  公开号：US20080105851A1

  公开（公告）日：2008-05-08

  Ligand exchange of thermochromic, LETC, systems exhibiting a reversible change in absorbance of electromagnetic radiation as the temperature of the system is reversibly changed are described. The described LETC systems include one or more than one transition metal ion, which experiences thermally induced changes in the nature of the complexation or coordination around the transition metal ion(s) and, thereby, the system changes its ability to absorb electromagnetic radiation as the temperature changes. In accordance with certain aspects of the present invention, a thermochromic system is disclosed comprising a transition metal ion and a ligand wherein the ligand comprises a nitrogen-containing five or six membered heterocyclic compound that coordinates through the nitrogen atom to the transition metal ion in a HεMLC formed between the transition metal ion and the ligand. In accordance with other aspects of the present invention, thermochromic systems are disclosed comprising a transition metal ion with particularly useful ligands, such as phosphine compounds, tridentate ligands that coordinate through three nitrogen atoms, bidentate ligands, or ortho hindered pyridine monodentate ligands.

  本文描述了具有热致变色性质的配体交换（LETC）系统，当系统的温度可逆变化时，电磁辐射吸收率也可逆变化。所述的LETC系统包括一个或多个过渡金属离子，其经历热诱导的配位或配位环境的变化，从而使系统随着温度变化而改变吸收电磁辐射的能力。根据本发明的某些方面，公开了包括过渡金属离子和配体的热致变色系统，其中配体包括通过氮原子与过渡金属离子形成的HεMLC（配体与过渡金属离子之间的配位键）的含氮五元或六元杂环化合物。根据本发明的其他方面，公开了包括具有特别有用的配体的过渡金属离子的热致变色系统，例如膦化合物、通过三个氮原子配位的三齿配体、双齿配体或邻位受阻的吡啶单齿配体。