Ethyl 3,4-dihydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate | 874484-95-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: Ethyl 3,4-dihydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate
• CAS: 874484-95-4
• 化学式: C₁₅H₁₈F₃NO₄
• 分子量: 333.307
• InChiKey: SSUXONACSYCTJX-UHFFFAOYSA-N

物化性质

• 沸点：
  399.1±42.0 °C(Predicted)
• 密度：
  1.378±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  70
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Ethyl 3,4-dihydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate 在 氢氧化钾 、 异丙醇 作用下， 反应 6.0h， 以55%的产率得到4-[3-(Trifluoromethyl)phenyl]piperidine-3,4-diol
  参考文献：
  名称：

  [EN] DIMERIC PIPERIDINE DERIVATIVES
  [FR] DERIVES DE PIPERIDINE DIMERES

  摘要：

  以下公式（I）的化合物：N-氧化物形式，药用可接受的添加盐及其立体异构形式，在治疗神经退行性媒介紊乱中具有用途。

  公开号：

  WO2006008260A1
• 作为产物：
  描述：

  ethyl 4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate 在 碳酸氢钠 、 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 以71%的产率得到Ethyl 3,4-dihydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate
  参考文献：
  名称：

  [EN] DIMERIC PIPERIDINE DERIVATIVES
  [FR] DERIVES DE PIPERIDINE DIMERES

  摘要：

  以下公式（I）的化合物：N-氧化物形式，药用可接受的添加盐及其立体异构形式，在治疗神经退行性媒介紊乱中具有用途。

  公开号：

  WO2006008260A1

文献信息

• Dimeric Piperidine Derivatives
  申请人：Cik Miroslav

  公开号：US20080015225A1

  公开（公告）日：2008-01-17

  the N-oxide forms, the pharmaceutically acceptable addition salts and the stereochemically isomeric forms thereof, wherein n is 0, 1 or 2; R 2 represents hydroxy; —X— represents C 2-4 alkynyl, C 1-12 alkyl optionally substituted with hydroxy or X represents a divalent radical of the formula wherein; —X 1 — represents C 1-12 alkyl, phenyl or a divalent radical selected from the group consisting of —X 2 — represents C 1-12 alkyl, C 1-4 alkyloxyC 1-4 alkyl, phenyl or a divalent radical of formula —X 3 — represents phenyl or a divalent radical selected from the group consisting of R 1 independently represents hydrogen, C 1-4 alkyl, C 1-4 alkyloxy-, Ar 1 , Ar 2 -carbonyl, Het 1 -C 1-4 alkyl, Het 2 , NR 3 R 4 —C 1-4 alkyl, Ar 3 -C 1-4 alkyloxy- or Het 4 -oxy-; R 3 and R 4 each independently represents hydrogen, C 1-4 alkyl, C 1-4 alkyloxy-, or Het 3 ; Het 1 represents a heterocycle selected from pyridinyl, indolinyl, indolyl, benzimidazolyl, benzthiazolyl, benzisoxazolyl, thiazolyl, pyridinyl, or thiadiazolyl wherein said Het 1 is optionally substituted with one or where possible two or more substituents selected from the group consisting of hydroxy, halo, C 1-4 alkyloxycarbonyl-, C 1-4 alkyl-, C 1-4 alkyloxy- and C 1-4 alkyloxy-substituted with halo; in particular Het 1 represents a heterocycle selected from indolyl or pyridinyl; Het 2 represents a heterocycle selected from indolyl, benzisoxazolyl or oxodiazolyl wherein said Het 2 is optionally substituted with one or where possible two or more substituents selected from the group consisting of hydroxy, halo, C 1-6 alkyl- and C 1-4 alkyloxy-; Het 3 represents a heterocycle selected from benzimidazolyl, benzisoxazolyl or benzthiazolyl wherein said Het 3 is optionally substituted with one or where possible two or more substituents selected from the group consisting of hydroxy, halo, C 1-6 alkyl- and C 1-4 alkyloxy-; in particular Het 3 represents benzthiazolyl substituted with C 1-4 alkyloxy-; Het 4 represents a heterocycle selected from benzimidazolyl, benzisoxazolyl or benzthiazolyl wherein said Het 4 is optionally substituted with one or where possible two or more substituents selected from the group consisting of hydroxy, halo, C 1-6 alkyl- and C 1-4 alkyloxy-; in particular Het 4 represents benzthiazolyl; Ar 1 represents phenyl optionally substituted with halo, C 1-4 alkyl or C 1-4 alkyl substituted with one, two or three halo substituents; Ar 2 represents phenyl optionally substituted with halo, C 1-4 alkyl or C 1-4 alkyl substituted with one, two or three halo substituents; in particular Ar 2 represents phenyl substituted with halo or trifluromethyl; Ar 3 represents phenyl optionally substituted with halo, C 1-4 alkyl or C 1-4 alkyloxy-.