1-苄基-4-甲基-2-苯基哌嗪 | 23174-98-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 1-苄基-4-甲基-2-苯基哌嗪
• 英文名称: 1-benzyl-4-methyl-2-phenyl-piperazine
• 英文别名: 4-benzyl-1-methyl-3-phenylpiperazine；1-benzyl-4-methyl-2-phenylpiperazine
• CAS: 23174-98-3
• 化学式: C₁₈H₂₂N₂
• 分子量: 266.386
• InChiKey: KGWHOILRUTWWPT-UHFFFAOYSA-N

物化性质

• 熔点：
  79-80 °C
• 沸点：
  379.3±32.0 °C(Predicted)
• 密度：
  1.061±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-苄基-4-甲基-2-苯基哌嗪 在 5%-palladium/activated carbon 氢气 、 sodium hydroxide 作用下， 以 溶剂黄146 、 水 为溶剂， 25.0~30.0 ℃ 、689.49 kPa 条件下， 反应 4.0h， 生成 1-甲基-3-苯基哌嗪
  参考文献：
  名称：

  Process for preparing 1-methyl-3-phenylpiperazine using a novel intermediate

  摘要：

  本发明描述了一种工业上有利的工艺，用于制备高纯度的公式I1的1-甲基-3-苯基哌嗪，该工艺利用了一种新型哌嗪衍生物，4-苄基-1-甲基-2-氧代-3-苯基哌嗪，其化学式为II2。1-甲基-3-苯基哌嗪是抗抑郁药米氮平的制备中有用的中间体。

  公开号：

  US20040242879A1
• 作为产物：
  描述：

  4-benzyl-1-methyl-2-oxo-3-phenylpiperazine 在 lithium aluminium tetrahydride 、 sodium hydroxide 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 7.0h， 以93.6%的产率得到1-苄基-4-甲基-2-苯基哌嗪
  参考文献：
  名称：

  Process for preparing 1-methyl-3-phenylpiperazine using a novel intermediate

  摘要：

  本发明描述了一种工业上有利的工艺，用于制备高纯度的公式I1的1-甲基-3-苯基哌嗪，该工艺利用了一种新型哌嗪衍生物，4-苄基-1-甲基-2-氧代-3-苯基哌嗪，其化学式为II2。1-甲基-3-苯基哌嗪是抗抑郁药米氮平的制备中有用的中间体。

  公开号：

  US20040242879A1

文献信息

• METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER
  申请人：Haggerty Timothy J.

  公开号：US20140335050A1

  公开（公告）日：2014-11-13

  The invention features methods, compositions, and kits for the administration of an HSP90 inhibitor, OBAA, flunarizine, aphidicolin, damnacanthal, dantrolene, or an analog thereof, alone, or in combination with, e.g., a TAA, an antigen-binding scaffold (e.g., an antibody, a soluble T cell receptor, or a chimeric receptor) specific for a TAA, a cell (e.g., a white blood cell that targets a cancer cell), and/or an IFN-β receptor agonist or an IFN-γ receptor agonist, for the treatment of cancer.
• US7041826B2
  申请人：——

  公开号：US7041826B2

  公开（公告）日：2006-05-09
• [EN] A PROCESS FOR PREPARING 1-METHYL-3-PHENYL-PIPERAZINE<br/>[FR] PROCEDE DE PREPARATION DE 1-METHYL-3-PHENYL-PIPERAZINE
  申请人：NEULAND LAB LTD

  公开号：WO2002090339A1

  公开（公告）日：2002-11-14

  A process for preparing 1-Methyl-3-phenyl-piperazine, which comprises: (i) mixing 1-Benzyl-2-phenyl-piperazine with formic acid solution while stirring and then with formaldehyde solution and heating the mixture to a temperature of 70 °C to 80 °C for 50 to 70 minutes; (ii) reheating the obtained solution of Step (i) to a temperature of 90 to 95 °C for 50 to 70 minutes; (iii) checking the obtained mass of Step (ii) for the absence of the starting material (TLC system, Toluene: IMS=6:4) and treating with sodium hydroxide solution while stirring for 50 to 70 minutes at a temperature of below 25 °C and filtering; (iv) washing the product of Step (iii) with water and drying to obtain 1-Benzyl-4-methyl-2-phenyl piperazine; (v) adding the product of Step (iv) with acetic acid taken in hydrogenator in the presence of palladium-carbon catalyst under nitrogen atmosphere while continuously stirring the mixture for about 6 to 10 hours keeping hydrogen pressure of 3.5 to 4.0 kg/cm2; (vi) checking the product of Step (v) for the absence of the starting material (TLC system, Ethyl acetate: Methanol = 1:1) and filtering under nitrogen and distilling acetic acid completely under vacuum; (vii) stirring the residue of Step (vi) with demineralised water and stirring with sodium hydroxide solution at a temperature up to 25 °C and extracting at least twice with hexane; (viii) concentrating the hexane layer to the mass of Step (vii) followed by stirring and filtering at a temperature of O to 5 °C, (ix) treating the product of Step (viii) with chilled hexane and drying in an air oven to obtain 1-Methyl-3-phenyl-piperazine.