2-n-decylbenzo[d]thiazole | 116406-13-4

• 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: 2-n-decylbenzo[d]thiazole
• 英文别名: 2-Decyl-1,3-benzothiazole
• CAS: 116406-13-4
• 化学式: C₁₇H₂₅NS
• 分子量: 275.458
• InChiKey: FWIRDJNVAUPONL-UHFFFAOYSA-N

物化性质

• 沸点：
  378.7±11.0 °C(Predicted)
• 密度：
  1.015±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  19
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  41.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  在 四甲基丙二胺 、 2-甲基十一烷-2-硫醇 、 tin(ll) chloride 作用下， 以 甲醇 、 2,2,2-三氟乙醇 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 16.0h， 生成 2-n-decylbenzo[d]thiazole
  参考文献：
  名称：

  金属自由基介导的乙烯和低沸点烯烃的烷基官能化

  摘要：

  烯烃，特别是乙烯等低沸点烯烃，是石油化工中的大宗化工原料。将这些廉价材料转化为增值的精细化学品至关重要。在此，我们报告了一种通过远程官能团迁移对气态乙烯和其他轻质烯烃进行自由基烷基官能化的有效方法。随着额外的杂芳基或肟基的安装，包括氘代烷基在内的各种烷基很容易并入烯烃中，从而产生复杂的官能化烷烃。这种光化学方法操作简单，即使在没有光敏剂和过渡金属添加剂的情况下也能进行。

  DOI：

  10.1039/d3gc01040f

文献信息

• Synthesis of Quinoline-Based NNN-Pincer Nickel(II) Complexes: A Robust and Improved Catalyst System for C–H Bond Alkylation of Azoles with Alkyl Halides
  作者：Ulhas N. Patel、Dilip K. Pandey、Rajesh G. Gonnade、Benudhar Punji

  DOI：10.1021/acs.organomet.6b00201

  日期：2016.6.13

  The quinoline-based pincer nickel(II) complexes kappa(N),kappa(N),kappa(N) -R2N-C6H4-(mu-N)-C9H6N}NiX (((NNNQ)-N-R2)NiCl: R = Me) 2a; R = Et, 2b) were synthesized by the reaction of the ligand precursors ((NNNQ)-N-R2)H (R = Me, 1a; R = Et, 1b) with (DME)NiCl2 in the presence of Et3N. Similarly, the pincer mickel(II) derivatives ((NNNQ)-N-R2)NiX (R = Me, X = Br, 3a; R = Et, X = Br, 3b; R = Me, X = OAc, 4a) were obtained by treatment of the ligands ((NNNQ)-N-R2)H with the nickel precursor (THF)(2)NiBr2 or Ni(QAc)(2). All of these complexes were characterized by H-1 and C-13 NMR spectroscopy as well as by elemental analysis. Further, the molecular structures of 2a and 3a,b were elucidated by X-ray crystallography. Complex 2a is found to be an efficient catalyst for the direct C-H bond alkylation of substituted benzothiazoles and oxazoles with various unactivated alkyl halides containing beta-hydrogens under mild reaction conditions. The catalyst 2a is very robust and was recycled and reused five times for the alkylation reaction without a decrease in its catalytic activity. Preliminary studies reveal that the catalyst 2a acts as an active catalyst and the alkylation reaction appears to operate via a radical pathway.