2,4,6-Tribromophenyl isocyanide | 2920-09-4

• 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: 2,4,6-Tribromophenyl isocyanide
• 英文别名: CNC6H2Br3-2,4,6；2,4,6-Tribrombenzoisonitril；1,3,5-Tribromo-2-isocyanobenzene
• CAS: 2920-09-4
• 化学式: C₇H₂Br₃N
• 分子量: 339.812
• InChiKey: TXNPNTXNQHOEDR-UHFFFAOYSA-N

物化性质

• 熔点：
  113-115 °C

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  4.4
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,4,6-Tribromophenyl isocyanide 在 水 、 三氟乙酸 作用下， 以 氯仿 为溶剂， 生成 N-(2,4,6-三溴苯基)甲酰胺
  参考文献：
  名称：

  Mironov; Mokrushin, Russian Journal of Organic Chemistry, 1999, vol. 35, # 5, p. 693 - 697

  摘要：

  DOI：
• 作为产物：
  描述：

  N-(2,4,6-三溴苯基)甲酰胺 在 三乙胺 、 三氯氧磷 作用下， 以 苯 为溶剂， 以78%的产率得到2,4,6-Tribromophenyl isocyanide
  参考文献：
  名称：

  Mironov; Mokrushin, Russian Journal of Organic Chemistry, 1999, vol. 35, # 5, p. 693 - 697

  摘要：

  DOI：

文献信息

• Synthesis, characterization and photophysical study of a series of neutral isocyano rhodium(I) complexes with pyridylindolide ligands
  作者：Wing-Kin Chu、Larry Tso-Lun Lo、Shek-Man Yiu、Chi-Chiu Ko

  DOI：10.1016/j.jorganchem.2011.06.032

  日期：2011.10

  Pyridylindole ligand and its chloro substituted derivatives have been synthesized and incorporated into the square planar bis(phenylisocyano) rhodium(I) complexes to give a series of neutral rhodium(I) complexes with general formula of [Rh(X-pyind)(CNR)2] (R = 2,6-(CH3)2-4-BrC6H2, 2,4-Cl2-6-(CH3O)C6H2, 2,4,6-Br3C6H2, 2,4,6-Cl3C6H2; L = 2-(2′-pyridyl)indole, 5-chloro-2-(2′-pyridyl)indole, 4,6-dichl

  合成了吡啶基吲哚配体及其氯取代的衍生物，并将其掺入方形平面双（苯基异氰基）铑（I）配合物中，得到一系列通式为[Rh（X-pyind）（CNR）的中性铑（I）配合物2〕（R = 2,6-（CH 3）2 -4-BRC 6 ħ 2，2,4-CL 2 -6（CH 3 ℃）6 ħ 2，2,4,6-溴3 ç 6 ħ 2，2,4,6-氯3 c ^ 6 ħ 2; L ＝ 2-（2′-吡啶基）吲哚，5-氯-2-（2′-吡啶基）吲哚，4，6-二氯-2-（2′-吡啶基）吲哚）。两种络合物前体[Rh（cod）（Cl-pyind）]和[Rh（cod）（Cl 2 pyind）]和目标络合物[Rh（pyind）（CNC 6 H 2 -2,4-Cl）的结构通过X射线晶体学测定2 -6-（OCH 3））2 ]。还研究了这些配合物的紫外可见吸收特性及其对温度变化的响应。
• Synthesis, Characterization, and Photophysical and Emission Solvatochromic Study of Rhenium(I) Tetra(isocyano) Diimine Complexes
  作者：Chi-Chiu Ko、Jacky Wai-Kit Siu、Apple Wai-Yi Cheung、Shek-Man Yiu

  DOI：10.1021/om200074t

  日期：2011.5.23

  A new series of rhenium(I) tetra(isocyano) diimine complexes ([Re(CNR)4(N–N)]+, where R = 4-IC6H4, 4-BrC6H4, 4-Br-2,6-Me2C6H2, 2,4,6-Cl3C6H2, 2,4,6-Br3C6H2, 2,4-Cl2-6-MeOC6H2 and N–N = bpy, (MeO)2bpy, tBu2bpy, phen, 1-methyl-2-(2′-pyridyl)imidazole) with various isocyanide and diimine ligands of diverse electronic and steric natures has been synthesized and characterized. The X-ray crystal structures

  一系列新铼（I）的四（异）二亚胺络合物（[重（CNR）4（N-N）] +，其中R = 4-IC 6 ħ 4，4- BRC 6 ħ 4，4- BR- 2,6-ME 2 c ^ 6 ħ 2，2,4,6-氯3 c ^ 6 ħ 2，2,4,6-溴3 c ^ 6 ħ 2，2,4-CL 2 -6-MeOC 6 H ^ 2并且N–N = bpy，（MeO）2 bpy，t Bu 2已合成并表征了具有各种电子和空间性质的各种异氰化物和二亚胺配体的bpy，phen，1-甲基-2-（2'-吡啶基）咪唑）。还确定了四个目标配合物的X射线晶体结构。这些复合物显示出橙色到红色的MLCT（dπ（Re）→π*（N–N））磷光。给定亚微秒溶液的发射寿命，已经进行了纳秒瞬态吸收光谱研究。还报道了这些配合物的发射溶剂化行为和电化学性质及其结构相关性。
• Synthesis and Photophysical Properties of Ruthenium(II) Isocyanide Complexes Containing 8-Quinolinolate Ligands
  作者：Chi-Fai Leung、Siu-Mui Ng、Jing Xiang、Wai-Yeung Wong、Michael Hon-Wah Lam、Chi-Chiu Ko、Tai-Chu Lau

  DOI：10.1021/om900253h

  日期：2009.10.12

  A series of ruthenium(II) bis(8-quinolinolato) complexes bearing isocyanide ligands (RNC) have been synthesized by the reaction of [RuQ3] (Q = 8-quinolinolate) with RNC in the presence of Zn/Hg. These complexes have the general formula [RuQ2(RNC)2] (1, R = tert-butyl; 2, R = 4-MeOPh; 3, R = 4-ClPh; 4, R = 2,4,6-Br3Ph). Both the yellow cis,cis,trans (a) and orange-red trans,trans,trans (b) isomers have

  在Zn / Hg的存在下，通过[RuQ 3 ]（Q = 8-quinolinolate）与RNC的反应合成了一系列带有异氰酸酯配体（RNC）的钌（II）双（8-喹啉基）配合物。这些配合物的通式为[RuQ 2（RNC）2 ]（1，R =叔丁基; 2，R = 4-MeOPh; 3，R = 4-ClPh; 4，R = 2,4,6-Br 3 Ph）。无论是黄色顺，顺，反式（一）和橙红色反式，反式，反式（b）异构体已经被分离为复合物1 - 4。还从[Ru（PPh 3）2 Cl 2 ]制备了反式，反式，反式-[Ru（Tol-Q）2（t BuNC）2 ]（6，HTol-Q = 8-羟基-5-甲苯基喹啉）。。2a，3a和4b的结构已通过X射线晶体学确定。这些配合物在紫外线区域（λmax = 320-390 nm）表现出强烈的吸收带，摩尔消光系数（ε）约为10 4 dm 3 mol -1 cm -1，在ε上具有中等强度的吸收10
• Synthesis and photophysical properties of isocyano Ruthenium(II) quinoline-8-thiolate complexes with visible-light and near-infrared emission
  作者：Chi-Fai Leung、Chi-Chiu Ko

  DOI：10.1016/j.jorganchem.2015.12.016

  日期：2016.2

  The reactions of [Ru-II(SQ)(2)(PPh3)(2)] (SQ = quinoline-8-thiolate) with different isocyanide ligands affords a series of emissive bis(quinoline-8-thiolate) ruthenium(II) complexes [Ru-II(SQ)(2)(PPh3)(CNR)] (1-6). Two isomeric forms, i.e. cis, trans (1a - 6a) and cis, cis (1b - 6b) have been separated in these reactions. With the variation on the p-accepting ability of the isocyanide ligands, the CN stretches, lowest energy absorptions and the photoluminescence can be systematically modified. (C) 2016 Elsevier B.V. All rights reserved.
• Aggregation and DNA Intercalation Properties of Di(isocyano) Rhodium(I) Diimine Complexes
  作者：Larry Tso-Lun Lo、Wing-Kin Chu、Chun-Yat Tam、Shek-Man Yiu、Chi-Chiu Ko、Sung-Kay Chiu

  DOI：10.1021/om200723j

  日期：2011.11.14

  A series of di(isocyano) rhodium(I) diimine complexes has been synthesized and characterized. Owing to the aggregation affinity of these complexes, they were found to exhibit thermochromism. To provide further insights into the aggregation affinity of these complexes, the enthalpy (Delta H) and entropy (Delta S) changes of dirnerizations of some of the complexes have been determined. In addition, the DNA intercalation properties of these complexes have also been investigated by the DNA unwinding assay.