1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]piperazine | 82516-57-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]piperazine
• 英文别名: 1-(2,2-Dimethyl-[1,3]dioxolan-4-ylmethyl)-piperazine
• CAS: 82516-57-2
• 化学式: C₁₀H₂₀N₂O₂
• 分子量: 200.281
• InChiKey: CUTBQYOJWOSAHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  33.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]piperazine 、 1-(1,4-dioxanium)undecahydrocrossodedecaborate tetrabutylammonium salt 以 乙醇 为溶剂， 反应 4.0h， 以75%的产率得到
  参考文献：
  名称：

  Synthesis and structure of novel closo-dodecaborate-based glycerols

  摘要：

  The reactions of oxonium derivatives of [B(12)H(12)](2) with different glycerol-based nucleophiles were studied. A series of novel closo-dodecaborate- based glycerols with different net charges on the molecules were prepared. A structure of {2-[2-(4-(2, 3-dihydroxypropyl)-dipiperazinium-1-yl)-ethoxy]-ethoxy}-undecahydro-closo-dodecaborate was determined and the existence of different intermolecular H-bonds was shown. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.10.038
• 作为产物：
  描述：

  ethyl 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]piperazine-1-carboxylate 在 potassium hydroxide 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以73.8%的产率得到1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]piperazine
  参考文献：
  名称：

  Synthesis and structure of novel closo-dodecaborate-based glycerols

  摘要：

  The reactions of oxonium derivatives of [B(12)H(12)](2) with different glycerol-based nucleophiles were studied. A series of novel closo-dodecaborate- based glycerols with different net charges on the molecules were prepared. A structure of {2-[2-(4-(2, 3-dihydroxypropyl)-dipiperazinium-1-yl)-ethoxy]-ethoxy}-undecahydro-closo-dodecaborate was determined and the existence of different intermolecular H-bonds was shown. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.10.038

文献信息

• [EN] CHIRAL CIS-IMIDAZOLINES<br/>[FR] CIS-IMIDAZOLINES CHIRALES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2009047161A1

  公开（公告）日：2009-04-16

  There are provided compounds of Formula (I), or the pharmaceutically acceptable salts thereof, wherein X, Y, Z, V1, V2, R1, R2, R3, R4 and R5 are as herein described, processes for obtaining said compounds and pharmaceutical preparations containing them. These compounds are useful as anticancer agents, in particular as agents in the treatment of solid tumors.

  提供了式（I）的化合物，或其药学上可接受的盐，其中X、Y、Z、V1、V2、R1、R2、R3、R4和R5如本文所述，获得该化合物的方法以及含有它们的药物制剂。这些化合物可用作抗癌剂，特别是作为固体肿瘤治疗中的药物。
• Novel Imidazolines as dual inhibitors of MDM2 and MDMX
  申请人：Hoffmann-La Roche Inc.

  公开号：US20140148443A1

  公开（公告）日：2014-05-29

  Disclosed are compounds of Formula I or pharmaceutically acceptable salts thereof, wherein X 1 , X 2 , X 3 , R 1 , R 2 and R 3 are as described in this application, and methods of using the compounds in the treatment of cancer.

  揭示了公式I的化合物或其药用盐，其中X1、X2、X3、R1、R2和R3如本申请中描述的那样，并且揭示了利用这些化合物治疗癌症的方法。
• Barbituric acid derivatives
  申请人：——

  公开号：US20020187991A1

  公开（公告）日：2002-12-12

  Derivatives of 5,5-disubstituted pyrimidine-2,4,6-trianones are disclosed. These compounds have antitumor and antimetastatic activity.

  5,5-二取代嘧啶-2,4,6-三酮的衍生物已被披露。这些化合物具有抗肿瘤和抗转移活性。
• CHIRAL CIS-IMIDAZOLINES
  申请人：Bartkovitz David Joseph

  公开号：US20090111789A1

  公开（公告）日：2009-04-30

  There are provided compounds of the formula or the pharmaceutically acceptable salts thereof, wherein X, Y, Z, V 1 , V 2 , R 1 , R 2 , R 3 , R 4 and R 5 are herein described. These compounds are useful as anticancer agents.

  提供以下公式或其药学上可接受的盐的化合物，其中X、Y、Z、V1、V2、R1、R2、R3、R4和R5在此描述。这些化合物可用作抗癌剂。
• Chiral CIS-imidazolines
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2325180A1

  公开（公告）日：2011-05-25

  There are provided compounds of the formula or the pharmaceutically acceptable salts thereof, wherein X, Y, Z, V3, V2, R1, R2, R3, R4 and R5 are as herein described, processes for obtaining said compounds and pharmaceutical preparations containing them. These compounds are useful as anticancer agents, in particular as agents in the treatment of solid tumors.

  提供的化合物式如下 或其药学上可接受的盐，其中 X、Y、Z、V3、V2、R1、R2、R3、R4 和 R5 如本文所述，还提供了获得上述化合物的工艺和含有这些化合物的药物制剂。这些化合物可用作抗癌剂，特别是治疗实体瘤的药物。