| 1403228-46-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1403228-46-5
• 化学式: C₂₀H₂₅N₂S*Cl
• 分子量: 360.951
• InChiKey: HSCLABLZCNDJHQ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.53
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  6.25
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  、 dichloro(3-phenyl-1H-inden-1-ylidene)bis(tricyclohexylphosphine)ruthenium(II) 在 戊酸钾 作用下， 以 甲苯 为溶剂， 反应 0.5h， 以67%的产率得到[1-(2,4,6-trimethylphenyl)-3-(2-thiomethylbenzyl)-2-imidazolidinylidene]dichloro(3-phenyl-1H-inden-1-ylidene)(tricyclohexylphosphine)ruthenium(II)
  参考文献：
  名称：

  New Ruthenium(II) Indenylidene Complexes Bearing Unsymmetrical N-Heterocyclic Carbenes

  摘要：

  New robust and air-stable ruthenium(II) indenylidene second-generation precatalysts with unsymmetrical N-heterocyclic carbene (NHC) ligands were synthesized. These complexes were studied using ring-closing metathesis (RCM) of diethyl diallylmalonate (5; DEDAM) as a model substrate. Two new complexes containing OMe and NMe2 groups in the NHC ligand, namely [1-(2,4,6-trimethylphenyl)-3-(2-methoxybenzyl)-2-imidazolidinylidene]dichloro(3-phenyl-1H-inden-1-ylidene)(tricyclohexylphosphine)ruthenium(II) (4a) and [1(2,4,6-trimethylphenyl)-3(2-N,N-dimethylaminobenzyl)-2-imidazolidinylidene]dichloro(3-phenyl-1H-inden-1-ylidene)(tricyclohexylphosphine)ruthenium(II) (4b), show increased activity in comparison to the parent [1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(3-phenyl-1H-inden-1-ylidene) (tricyclohexylphosphine)ruthenium (II) (Umicore M2). Interestingly, the complex [1-(2,4,6-trimethylphenyl)-3-(2-thiomethylbenzyl)-2-imidazolidinylidene]dichloro(3-phenyl-1H-inden-1-ylidene)(tricyclohexylphospline)ruthenium(II) (4c), bearing a SMe substituent, showed very low activity in the model RCM reaction with diethyl diallylmalonate (5). Application of the active complexes for metathesis reactions with a broad spectrum of olefins in commercial grade solvents in air was examined.

  DOI：

  10.1021/om300783g
• 作为产物：
  描述：

  N-(2,4,6-trimethylphenyl)-1,2-diaminoethane 在 盐酸 、 sodium tetrahydroborate 作用下， 以 乙腈 为溶剂， 反应 13.0h， 生成
  参考文献：
  名称：

  New Ruthenium(II) Indenylidene Complexes Bearing Unsymmetrical N-Heterocyclic Carbenes

  摘要：

  New robust and air-stable ruthenium(II) indenylidene second-generation precatalysts with unsymmetrical N-heterocyclic carbene (NHC) ligands were synthesized. These complexes were studied using ring-closing metathesis (RCM) of diethyl diallylmalonate (5; DEDAM) as a model substrate. Two new complexes containing OMe and NMe2 groups in the NHC ligand, namely [1-(2,4,6-trimethylphenyl)-3-(2-methoxybenzyl)-2-imidazolidinylidene]dichloro(3-phenyl-1H-inden-1-ylidene)(tricyclohexylphosphine)ruthenium(II) (4a) and [1(2,4,6-trimethylphenyl)-3(2-N,N-dimethylaminobenzyl)-2-imidazolidinylidene]dichloro(3-phenyl-1H-inden-1-ylidene)(tricyclohexylphosphine)ruthenium(II) (4b), show increased activity in comparison to the parent [1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(3-phenyl-1H-inden-1-ylidene) (tricyclohexylphosphine)ruthenium (II) (Umicore M2). Interestingly, the complex [1-(2,4,6-trimethylphenyl)-3-(2-thiomethylbenzyl)-2-imidazolidinylidene]dichloro(3-phenyl-1H-inden-1-ylidene)(tricyclohexylphospline)ruthenium(II) (4c), bearing a SMe substituent, showed very low activity in the model RCM reaction with diethyl diallylmalonate (5). Application of the active complexes for metathesis reactions with a broad spectrum of olefins in commercial grade solvents in air was examined.

  DOI：

  10.1021/om300783g