tert-butyl 4-({1-[2-(4-cyanophenyl)ethyl]-4-hydroxypiperidin-4-ylmethyl}-methylamino)benzoate | 477721-23-6

• 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: tert-butyl 4-({1-[2-(4-cyanophenyl)ethyl]-4-hydroxypiperidin-4-ylmethyl}-methylamino)benzoate
• 英文别名: Tert-butyl 4-({1-[2-(4-cyanophenyl)ethyl]-4-hydroxypiperidin-4-ylmethyl}methylamino)benzoate；tert-butyl 4-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxypiperidin-4-yl]methyl-methylamino]benzoate
• CAS: 477721-23-6
• 化学式: C₂₇H₃₅N₃O₃
• 分子量: 449.593
• InChiKey: PVEUXQWZUWKJQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  76.8
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-({1-[2-(4-cyanophenyl)ethyl]-4-hydroxypiperidin-4-ylmethyl}-methylamino)benzoate 在 盐酸 、 potassium carbonate 作用下， 以 水 为溶剂， 反应 5.0h， 生成 4-({1-[2-(4-cyanophenyl)ethyl]-4-hydroxypiperidin-4-ylmethyl}-methylamino)benzoic acid monohydrochloride
  参考文献：
  名称：

  EP1391452

  摘要：

  公开号：
• 作为产物：
  描述：

  1-[2-(4-cyanophenyl)ethyl]piperidin-4-spiro-2'-oxirane 、 p-methylaminobenzoate de t-butyle 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 53.5h， 生成 tert-butyl 4-({1-[2-(4-cyanophenyl)ethyl]-4-hydroxypiperidin-4-ylmethyl}-methylamino)benzoate
  参考文献：
  名称：

  EP1391452

  摘要：

  公开号：

文献信息

• 4-hydroxpiperdine derivative with analgetic activity
  申请人：——

  公开号：US20040176410A1

  公开（公告）日：2004-09-09

  A compound represented by the following Formula (I): 1 (wherein A represents oxygen atom or —NR 3 — (R 3 represents hydrogen atom or lower alkyl group); R 1 represents nitro group, lower alkoxycarbonyl group, carbamoyl group unsubstituted or mono- or di-substituted by lower alkyl group, unprotected or protected hydroxyl group, unprotected or protected carboxyl group, lower alkyl group substituted by unprotected or protected hydroxyl group, or tetrazolyl group; and R 2 represents hydrogen atom, cyano group or lower alkylsulfonyl group, provided that when A is —NR 3 —, it is excluded that R 1 represents unprotected or protected hydroxyl group or lower alkyl group substituted by unprotected or protected hydroxyl group) or its salt, and method for producing the compound, and a pharmaceutical composition containing the compound as active ingredient.

  以下为公式（I）所代表的化合物：1（其中A代表氧原子或-NR3-（R3代表氢原子或低碳基）；R1代表硝基、低碳酰氧基、未取代或单取代或二取代的低碳基卡巴莫基、未保护或保护的羟基、未保护或保护的羧基、低碳基取代的未保护或保护的羟基、或四唑基；R2代表氢原子、氰基或低烷基磺酰基，但当A为-NR3-时，不包括R1代表未保护或保护的羟基或低碳基取代的未保护或保护的羟基；以及制备该化合物的方法和包含该化合物作为活性成分的药物组合物。
• 4-hydroxypiperidine derivatives having analgesic activity
  申请人：Yamamoto Ichiro

  公开号：US06956046B2

  公开（公告）日：2005-10-18

  A compound represented by the following Formula (I): (wherein A represents oxygen atom or —NR 3 — (R 3 represents hydrogen atom or lower alkyl group); R 1 represents nitro group, lower alkoxycarbonyl group, carbamoyl group unsubstituted or mono- or di-substituted by lower alkyl group, unprotected or protected hydroxyl group, unprotected or protected carboxyl group, lower alkyl group substituted by unprotected or protected hydroxyl group, or tetrazolyl group; and R 2 represents hydrogen atom, cyano group or lower alkylsulfonyl group, provided that when A is —NR 3 —, it is excluded that R 1 represents unprotected or protected hydroxyl group or lower alkyl group substituted by unprotected or protected hydroxyl group) or its salt, and method for producing the compound, and a pharmaceutical composition containing the compound as active ingredient.

  以下是式子（I）所代表的化合物：（其中A代表氧原子或—NR3—（R3代表氢原子或较低的烷基）；R1代表硝基，较低的烷氧羰基，未被取代或被较低烷基单取代或双取代的羰酰胺基，未受保护或受保护的羟基，未受保护或受保护的羧基，被未受保护或受保护的羟基取代的较低烷基，或四唑基；R2代表氢原子，氰基或较低烷基磺酰基，但当A为—NR3—时，不包括R1代表未受保护或受保护的羟基或被未受保护或受保护的羟基取代的较低烷基）或其盐，并且制备该化合物的方法，以及含有该化合物作为活性成分的药物组合物。
• 4-HYDROXPIPERIDINE DERIVATIVE WITH ANALGETIC ACTIVITY
  申请人：MOCHIDA PHARMACEUTICAL CO., LTD.

  公开号：EP1391452A1

  公开（公告）日：2004-02-25

  A compound represented by the following Formula (I): (wherein A represents oxygen atom or -NR3- (R3 represents hydrogen atom or lower alkyl group); R1 represents nitro group, lower alkoxycarbonyl group, carbamoyl group unsubstituted or mono- or di-substituted by lower alkyl group, unprotected or protected hydroxyl group, unprotected or protected carboxyl group, lower alkyl group substituted by unprotected or protected hydroxyl group, or tetrazolyl group; and R2 represents hydrogen atom, cyano group or lower alkylsulfonyl group, provided that when A is - NR3-, it is excluded that R1 represents unprotected or protected hydroxyl group or lower alkyl group substituted by unprotected or protected hydroxyl group) or its salt, and method for producing the compound, and a pharmaceutical composition containing the compound as active ingredient.

  由下式(I)代表的化合物： (其中 A 代表氧原子或-NR3-（R3 代表氢原子或低级烷基）；R1 代表硝基、低级烷氧羰基、未被低级烷基取代或被低级烷基一取代或二取代的氨基甲酰基、未受保护或受保护的羟基、未受保护或受保护的羧基、被未受保护或受保护的羟基取代的低级烷基或四唑基；和 R2 代表氢原子、氰基或低级烷基磺酰基，但当 A 为-NR3-时，不包括 R1 代表未保护或受保护羟基或被未保护或受保护羟基取代的低级烷基）或其盐，以及生产该化合物的方法和含有该化合物作为活性成分的药物组合物。
• US6956046B2
  申请人：——

  公开号：US6956046B2

  公开（公告）日：2005-10-18
• EP1391452
  申请人：——

  公开号：——

  公开（公告）日：——