N,N'-dibenzylcyclohexane-trans-1,4-diamine | 439912-01-3

• 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: N,N'-dibenzylcyclohexane-trans-1,4-diamine
• 英文别名: N1,N4-dibenzylcyclohexane-1,4-diamine
• CAS: 439912-01-3
• 化学式: C₂₀H₂₆N₂
• 分子量: 294.44
• InChiKey: BCNNYHZMGGJENO-MXVIHJGJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.88
• 重原子数：
  22.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  24.06
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  N,N'-dibenzylcyclohexane-trans-1,4-diamine 、 [[2,5-Ph2-3,4-Tol2(η5-C4CO)]Ru(CO)2]2 以 甲苯 为溶剂， 以73%的产率得到
  参考文献：
  名称：

  Intramolecular Trapping of an Intermediate in the Reduction of Imines by a Hydroxycyclopentadienyl Ruthenium Hydride:  Support for a Concerted Outer Sphere Mechanism

  摘要：

  Reduction of imines by [2,5-ph(2)-3,4-Tol(2)(eta(5)-C4COH)]Ru(CO)(2)H (1) produces kinetically stable ruthenium amine complexes. Reduction of an imine possessing an intramolecular amine was studied to distinguish between inner sphere and outer sphere mechanisms. 1,4-(BnNH)-N-15(c-C6H10)=NBn (12) was reduced by 1 in toluene-d(8) to give 85% of [2,5-Ph-2-3,4-Tol(2) (eta(4)-C4CO)](CO)(2)RuNHBn(c-C6H10)(NHBn)-N-15 (16-RuN,N-15), resulting from coordination of the newly formed amine to the ruthenium center, and 15% of trapping product [2,5-Ph-2-3,4-Tol(2) (eta(4)-C4CO)](CO)(2)(RuNHBn)-N-15(c-C6H10)NHBn (16-(RuN)-N-15,N), resulting from coordination of the intramolecular trapping amine. These results provide support for an outer sphere transfer of hydrogen to the imine to generate a coordinatively unsaturated intermediate, which can be trapped by the intramolecular amine. An opposing mechanism, requiring coordination of the imine nitrogen to ruthenium prior to hydrogen transfer, cannot readily explain the observation of the trapping product 16-(RuN)-N-15,N.

  DOI：

  10.1021/ja073370x
• 作为产物：
  描述：

  (N1Z,N4Z)-N1,N4-dibenzylidenecyclohexane-1,4-diamine 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 4.0h， 以75%的产率得到N,N'-dibenzylcyclohexane-trans-1,4-diamine
  参考文献：
  名称：

  Kumar, Nitin; Kapoor, Ekta; Singh, Ramandeep, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2013, vol. 52, # 11, p. 1441 - 1450

  摘要：

  DOI：

文献信息

• Stabilization of [(nBu2SnCl)(μ-Cl)2(ClSnnBu2)] within the solid-state structure of a Chlorodi-n-butyltin(IV) dithiocarbamate
  作者：Ericka Santacruz-Juárez、Jorge Cruz-Huerta、Aarón Torres-Huerta、María G. Hernández-Cruz、Victor Barba、Hugo Tlahuext、Herbert Höpfl

  DOI：10.1016/j.jorganchem.2014.07.027

  日期：2014.11

  The combination of bis-dithiocarbamate ligands derived from N,N'-dibenzylcyclohexane-trans-1,4-diamine with dimethyl- and di-n-butyltin(IV) dichloride provided two discrete dinuclear complexes of the composition [(Me2SnCl)(2)(bis-dtc)]center dot 2CHCl(3) (1) and [(nBu(2)SnCl)(2)(bis-dtc)] (2) with bis-dtc = N,N'-dibenzylcyclohexane-trans-1,4-diamine-bisdithiocarbamate. Additionally, single crystals of the composition [(nBu(2)SnCl)(mono-dtc)]center dot[nBu(2)SnCl(2)](2) (3) with mono-dtc = N,N'-dibenzylcyclohexane-trans-1,4-diamine-monodithiocarbamate were isolated. Within the crystal structures of the three complexes, a varied number of common (C-H center dot center dot S, C-H center dot center dot center dot Cl and N-H center dot center dot center dot Cl) and less common (S center dot center dot center dot S, S center dot center dot center dot Cl, Cl center dot center dot center dot Cl, Cl center dot center dot center dot N and Cl center dot center dot center dot Sn) secondary interactions were observed and analyzed. The supramolecular solid-state organization of [(Me2SnCl)(2)(bis-dtc)]center dot 2CHCl(3) revealed the presence of channels, which were filled with chloroform molecules. In the crystal structure of [(nBu(2)SnCl)(mono-dtc)]center dot[nBu(2)SnCl(2)](2), the di-n-butyltin dichloride units are arranged in form of a so far unknown dimeric aggregate of the composition [(nBu(2)SnCl)(mu-Cl)(2)(ClSnnBu(2))]. The latter assembly represents thus a rare example for a two-component co-crystalline assembly, in which a relatively large non-solvent molecule with unusual molecular structure is stored and stabilized. (C) 2014 Elsevier B. V. All rights reserved.