3.5-Di-p-tolyl-toluol | 119532-49-9

• 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: 3.5-Di-p-tolyl-toluol
• 英文别名: 1-Methyl-3,5-bis(4-methylphenyl)benzene
• CAS: 119532-49-9
• 化学式: C₂₁H₂₀
• 分子量: 272.39
• InChiKey: MEABYENRNUYYBM-UHFFFAOYSA-N

物化性质

• 熔点：
  117 °C
• 沸点：
  162 °C(Press: 0.007 Torr)
• 密度：
  1.013±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  3.5-Di-p-tolyl-toluol 、 alkaline earth salt of/the/ methylsulfuric acid 生成 对甲基苯甲酸
  参考文献：
  名称：

  Gastaldi; Cherchi, Gazzetta Chimica Italiana, 1915, vol. 45 II, p. 274

  摘要：

  DOI：
• 作为产物：
  描述：

  3,5-二溴-4-碘甲苯 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 3.0h， 生成 3.5-Di-p-tolyl-toluol
  参考文献：
  名称：

  NOVEL ISOLABLE C,C-DICHLOROPHOSPHAALKENES RP=CCl₂ OWING TO THE USE OF NEW HUGE STABILIZING GROUPS

  摘要：

  Three new C,C-dichlorophosphaalkenes RP=CCl2 18-20 have been synthesized from the corresponding dichlorophosphines RPCl2 11-13. Compounds 18-20 are stabilized owing to the use of thr very bulky new groups R-1 [2,6-bis(4-methylphenyl)-4-methylphenyl] and R-3 [2;6-bis(2-methoxyphenyl)-4-methylphenyl] and the known 2,6-dimesityl-4-methylphenyl (R-2). The compounds with a R-3 group ((RI)-I-3: 4, (RPCl2)-P-3: 13, (RPH2)-P-3: 17 and (RP)-P-3=CCl2: 20) exist in the form of two conformational isomers on the NMR time scale. A H-1 and P-31 NMR dynamic study (for 4 and 13 respectively) allowed the determination of the Delta G* of this phenomenon, respectively 18.5 and 18.2 kcal/mol.

  DOI：

  10.1080/10426509908031627

文献信息

• Synthesis, structure and catalytic applications of octahedral nickel(II) benzoylhydrazone complex: Suzuki–Miyaura cross-coupling reaction of aryl bromides with arylboronic acid
  作者：Pandimuni Kalpaga Suganthy、Rupesh Narayana Prabhu、Venugopal Shanmugham Sridevi

  DOI：10.1016/j.ica.2016.05.015

  日期：2016.8

  Abstract A simple route for the synthesis of a new octahedral nickel(II) complex (1) containing 4-chloro-benzoic acid pyridin-2-ylmethylene-hydrazide ligand (HL, where H represents the dissociable proton) has been described. The characterization of the complex having the formula [Ni(μ3-O,N,N-L)2] has been established by elemental analysis, ESI-MS, spectral methods and single crystal X-ray crystallography

  摘要描述了一种简单的合成新的八面体镍（II）配合物的方法，该配合物包含4-氯-苯甲酸吡啶-2-基亚甲基-酰肼配体（HL，其中H表示可解离的质子）。已通过元素分析，ESI-MS，光谱方法和单晶X射线晶体学建立了具有式[Ni（μ3-O，N，NL）2]的配合物的表征。此外，在溶剂，碱和催化剂负载的优化条件下，发现新的络合物可作为取代的芳基溴化物（单溴化物和二溴化物）与各种具有不同电子效应的芳基硼酸的Suzuki-Miyaura反应的活性均相催化剂。联苯和三苯衍生物的分离产率中等至优异。
• Palladium(ii) thiocarboxamide complexes: synthesis, characterisation and application to catalytic Suzuki coupling reactions
  作者：Elangovan Sindhuja、Rengan Ramesh、Yu Liu

  DOI：10.1039/c2dt12243j

  日期：——

  and were found to have much greater activity, without using any promoting additives or phase transfer agent under aerobic conditions. Higher reaction rates are obtained by varying R substituents on the aromatic ring of pyridine-2-thiocarboxamide. The effect of other variables on the cross-coupling reaction, such as temperature, solvent and base, is also reported.

  已经开发出一种简单的方法，可以从N-取代的吡啶-2-硫代羧酰胺配体与PdCl 2（PPh 3）2的反应合成钯（II）配合物。新的络合物在普通溶剂中非常易溶，并且已得到充分表征（元素分析，FT-IR，1 H，31 P，13C-NMR），包括X射线衍射分析。确定了所有配合物的分子结构，并揭示了Pd周围正方形平面几何形状的存在，几乎没有畸变。在电子减活的芳基和杂芳基溴化物的Suzuki偶联中测试了该配合物，发现该配合物具有更大的活性，而在需氧条件下不使用任何促进添加剂或相转移剂。通过改变芳族环上的R取代基可以获得更高的反应速率吡啶-2-硫代羧酰胺。还报道了其他变量对交叉偶联反应的影响，例如温度，溶剂和碱。
• Palladium nanoparticles catalyzed Suzuki cross-coupling reactions in ambient conditions
  作者：Pavan Kumar Mandali、Dillip Kumar Chand

  DOI：10.1016/j.catcom.2012.10.020

  日期：2013.1

  An efficient pathway to synthesize biaryls and terphenyls through ligand-free palladium nanoparticles (PdNPs) catalyzed Suzuki cross-coupling reactions has been developed. Mild reaction conditions, high yields of desired products, absence of inert atmosphere and short reaction times are the notable features of this method. (C) 2012 Elsevier B.V. All rights reserved.
• Gompper,R.; Christmann,O., Chemische Berichte, 1961, vol. 94, p. 1795 - 1799
  作者：Gompper,R.、Christmann,O.

  DOI：——

  日期：——
• NOVEL ISOLABLE <i>C,C</i>-DICHLOROPHOSPHAALKENES RP=CCl₂ OWING TO THE USE OF NEW HUGE STABILIZING GROUPS
  作者：L. Rigon、H. Ranaivonjatovo、J. Escudie

  DOI：10.1080/10426509908031627

  日期：1999.9.1

  Three new C,C-dichlorophosphaalkenes RP=CCl2 18-20 have been synthesized from the corresponding dichlorophosphines RPCl2 11-13. Compounds 18-20 are stabilized owing to the use of thr very bulky new groups R-1 [2,6-bis(4-methylphenyl)-4-methylphenyl] and R-3 [2;6-bis(2-methoxyphenyl)-4-methylphenyl] and the known 2,6-dimesityl-4-methylphenyl (R-2). The compounds with a R-3 group ((RI)-I-3: 4, (RPCl2)-P-3: 13, (RPH2)-P-3: 17 and (RP)-P-3=CCl2: 20) exist in the form of two conformational isomers on the NMR time scale. A H-1 and P-31 NMR dynamic study (for 4 and 13 respectively) allowed the determination of the Delta G* of this phenomenon, respectively 18.5 and 18.2 kcal/mol.