1,4-bis(2-nitro-4-tert-butylbenzyl)piperazine | 256487-72-6

• 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: 1,4-bis(2-nitro-4-tert-butylbenzyl)piperazine
• CAS: 256487-72-6
• 化学式: C₂₆H₃₆N₄O₄
• 分子量: 468.596
• InChiKey: YZHSRCXIHKRYSJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.42
• 重原子数：
  34.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  92.76
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  1,4-bis(2-nitro-4-tert-butylbenzyl)piperazine 在 甲烷 、 一水合肼 作用下， 以 乙醇 为溶剂， 反应 68.0h， 以69%的产率得到1,4-bis(2-amino-4-tert-butylbenzyl)piperazine
  参考文献：
  名称：

  New titanium imido complexes containing piperazine-based diamido–diamine ligands

  摘要：

  Syntheses of the new piperazine derivatives 1,4-bis(2-amino-4-tert-butylbenzyl)piperazine (2) and 1,4-bis(2-trimethylsilylamino-4-R-benzyl)piperazine (R = H 3 or Bu' 4; H2L1 and H2L1 respectively) are described along with the X-ray crystal structure of 2. Treatment of H2L1 and H2L1 with n-butyl lithium gives the amido derivatives Li2L1 (5) and Li2L2 (6), which react with [Ti(NBu')Cl-2(py)(3)] to form [Ti(NBu')(L-1)] (7) and [Ti(NBu')(L-2)] (8). Reaction of Li2L1 with [Ti(N-4-C6H4Me)Cl-2(py)(3)] gives the corresponding arylimido homologue [Ti(N-4-C6H4Me)(L-1)] (9). The X-ray structure of 8 shows a strongly transoid disposition of the aryl rings of the L-1 ligand and this geometry is maintained in solution. Somewhat surprisingly 7 does not undergo tert-butylimide/arylamine exchange with 4-methylphenylamine to form 9. The related compound N,N'-bis(2-trimethylsilylaminobenzyl)-N,N'-dimethyl-1,3-diaminopropane (12, H2L3) and its lithium salt Li2L3 (13) are also described. However, reaction of 13 with [Ti(NBu')Cl-2(py)(3)] affords no tractable product. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(99)00447-7
• 作为产物：
  描述：

  哌嗪 、 1-bromomethyl-4-tert-butyl-2-nitrobenzene 在 氢氧化钾 作用下， 以 甲苯 为溶剂， 反应 20.0h， 以19%的产率得到1,4-bis(2-nitro-4-tert-butylbenzyl)piperazine
  参考文献：
  名称：

  New titanium imido complexes containing piperazine-based diamido–diamine ligands

  摘要：

  Syntheses of the new piperazine derivatives 1,4-bis(2-amino-4-tert-butylbenzyl)piperazine (2) and 1,4-bis(2-trimethylsilylamino-4-R-benzyl)piperazine (R = H 3 or Bu' 4; H2L1 and H2L1 respectively) are described along with the X-ray crystal structure of 2. Treatment of H2L1 and H2L1 with n-butyl lithium gives the amido derivatives Li2L1 (5) and Li2L2 (6), which react with [Ti(NBu')Cl-2(py)(3)] to form [Ti(NBu')(L-1)] (7) and [Ti(NBu')(L-2)] (8). Reaction of Li2L1 with [Ti(N-4-C6H4Me)Cl-2(py)(3)] gives the corresponding arylimido homologue [Ti(N-4-C6H4Me)(L-1)] (9). The X-ray structure of 8 shows a strongly transoid disposition of the aryl rings of the L-1 ligand and this geometry is maintained in solution. Somewhat surprisingly 7 does not undergo tert-butylimide/arylamine exchange with 4-methylphenylamine to form 9. The related compound N,N'-bis(2-trimethylsilylaminobenzyl)-N,N'-dimethyl-1,3-diaminopropane (12, H2L3) and its lithium salt Li2L3 (13) are also described. However, reaction of 13 with [Ti(NBu')Cl-2(py)(3)] affords no tractable product. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(99)00447-7