(+/-)-4-[(4-fluorophenyl)hydroxy]methyl-1-piperidinecarboxylic acid, 1,1-dimethyl-ethylester

• 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: (+/-)-4-[(4-fluorophenyl)hydroxy]methyl-1-piperidinecarboxylic acid, 1,1-dimethyl-ethylester
• 英文别名: tert-butyl 4-[(4-fluorophenoxy)methyl]piperidine-1-carboxylate；N-tert-butyloxycarbonyl-4-(p-fluorophenoxymethyl)piperidine；N-tert-butyloxycarbonyl4-(p-fluorophenoxymethyl)piperidine
• 化学式: C₁₇H₂₄FNO₃
• 分子量: 309.381
• InChiKey: KBJPEEKMTGAFKO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (+/-)-4-[(4-fluorophenyl)hydroxy]methyl-1-piperidinecarboxylic acid, 1,1-dimethyl-ethylester 以 盐酸 为溶剂， 反应 48.0h， 生成 4-(4-Fluorphenoxymethyl)-piperidin
  参考文献：
  名称：

  New linear cyclic ureas

  摘要：

  化合物的式子(I)：其中：V代表单键或烷基链，M代表单键或烷基链，A和E分别代表氮或CH，但至少有一个A或E代表氮，W代表式子(i)，(ii)或(iii)的基团：其中：X代表羰基，磺酰基或硫氧化物，G1、G2和G3如说明书中所定义，T代表融合苯基团或融合吡啶基团，R1代表氢、线性或支链(C1-C6)烷基、芳基或芳基-(C1-C6)烷基，其中烷基部分是线性或支链的，R2a和R2b相同或不同，如说明书中所定义，R3代表芳基或杂环芳基-A，其中每个基团都可以选择性地被取代，Y代表芳氧基、杂芳氧基或杂环芳基-B，其中每个基团都可以选择性地被取代，其异构体、水合物、溶剂化物和其与药用可接受酸的加合物。含有此化合物的药物在治疗已知存在内皮功能障碍的疾病或病理条件中有用。

  公开号：

  US20030191132A1
• 作为产物：
  描述：

  4-氟苯酚 、 N-Boc-4-哌啶甲醇 在 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 以75%的产率得到(+/-)-4-[(4-fluorophenyl)hydroxy]methyl-1-piperidinecarboxylic acid, 1,1-dimethyl-ethylester
  参考文献：
  名称：

  [EN] NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS
  [FR] NOUVEAUX ACRYLAMIDES HÉTÉROCYCLIQUES ET LEUR UTILISATION EN TANT QUE PRODUITS PHARMACEUTIQUES

  摘要：

  这项发明涉及新颖的杂环丙烯酰胺化合物（I），涉及该化合物及其中间体的制备，涉及将该化合物用作抗菌药物以及含有该化合物的药物组合物的用途。

  公开号：

  WO2011061214A1

文献信息

• 4-substituted piperidines
  申请人：Faes, Fabrica Espanola de Productos Quimicos Y Farmaceuticos S.A.

  公开号：US06518284B2

  公开（公告）日：2003-02-11

  New 4-substituted piperidines of the following general formula (I) are disclosed in which R1 and R2 are substituted in unsubstituted aryl radicals, which compounds are obtained as racemic mixtures and as pure enantiomers. The compounds, and their pharmaceutically acceptable salts, inhibit the serotonin and/or noradrenaline reuptake, and are useful as medicaments in disorders in which an increase of levels of those neurotransmitters is necessary.

  以下一般式（I）的新4-取代哌啶化合物被披露，其中R1和R2被取代为未取代芳基基团，这些化合物以外消旋混合物和纯对映体的形式获得。这些化合物及其药学上可接受的盐抑制5-羟色胺和/或去甲肾上腺素的再摄取，并且在需要增加这些神经递质水平的疾病中作为药物是有用的。
• New linear or cyclic ureas
  申请人：——

  公开号：US20010009911A1

  公开（公告）日：2001-07-26

  Compound of formula (I): 1 wherein: V represents a single bond or an alkylene chain, M represents a single bond or an alkylene chain, A and E each represents nitrogen or CH, but at least one of the two groups A or E represents nitrogen, W represents a group of formula (i), (ii) or (iii): 2 wherein: X represents carbonyl, sulphonyl or sulphoxide, G 1 , G 2 and G 3 are as defined in the description, T represents a fused phenyl group or a fused pyridyl group, R 1 represents hydrogen, linear or branched (C 1 -C 6 )alkyl, aryl or aryl-(C 1 -C 6 )alkyl in which the alkyl moiety is linear or branched, R 2a and R 2b , which are the same or different, are as defined in the description, R 3 represents aryl or heteroaryl-A as defined in the description, each of which groups may optionally be substituted, Y represents aryloxy, heteroaryloxy or heteroaryl-B as defined in the description, each of which groups may optionally be substituted, its isomers, its hydrates, its solvates and addition salts thereof with a pharmaceutically acceptable acid. Medicinal products containing the same which are useful in the treatment of diseases or pathological conditions in which endothelial dysfunction is known.

  化合物的化学式（I）如下：其中：V代表单键或烷基链，M代表单键或烷基链，A和E各代表氮或CH，但两个基团A或E中至少有一个代表氮，W代表化学式（i）、（ii）或（iii）中的一个基团：其中：X代表酰基、磺酰基或亚砜基，G1、G2和G3如描述中定义，T代表融合苯基团或融合吡啶基团，R1代表氢、线性或支链（C1-C6）烷基、芳基或芳基-(C1-C6)烷基，其中烷基基团是线性或支链的，R2a和R2b，相同或不同，如描述中定义，R3代表芳基或杂芳基-A如描述中定义，这些基团可以选择性地被取代，Y代表芳氧基、杂芳氧基或杂芳基-B如描述中定义，这些基团可以选择性地被取代，以及其异构体、水合物、溶剂合物及其与药用酸的加合物。含有该化合物的药物产品可用于治疗已知存在内皮功能障碍的疾病或病理状况。
• New linear cyclic ureas
  申请人：——

  公开号：US20030191132A1

  公开（公告）日：2003-10-09

  Compound of formula (I): 1 wherein: V represents a single bond or an alkylene chain, M represents a single bond or an alkylene chain, A and E each represents nitrogen or CH, but at least one of the two groups A or E represents nitrogen, W represents a group of formula (i), (ii) or (iii): 2 wherein: X represents carbonyl, sulphonyl or sulphoxide, G 1 , G 2 and G 3 are as defined in the description, T represents a fused phenyl group or a fused pyridyl group, R 1 represents hydrogen, linear or branched (C 1 -C 6 )alkyl, aryl or aryl-(C 1 -C 6 )alkyl in which the alkyl moiety is linear or branched, R 2a and R 2b , which are the same or different, are as defined in the description, R 3 represents aryl or heteroaryl-A as defined in the description, each of which groups may optionally be substituted, Y represents aryloxy, heteroaryloxy or heteroaryl-B as defined in the description, each of which groups may optionally be substituted, its isomers, its hydrates, its solvates and addition salts thereof with a pharmaceutically acceptable acid. Medicinal products containing the same which are useful in the treatment of diseases or pathological conditions in which endothelial dysfunction is known.

  化合物的式子(I)：其中：V代表单键或烷基链，M代表单键或烷基链，A和E分别代表氮或CH，但至少有一个A或E代表氮，W代表式子(i)，(ii)或(iii)的基团：其中：X代表羰基，磺酰基或硫氧化物，G1、G2和G3如说明书中所定义，T代表融合苯基团或融合吡啶基团，R1代表氢、线性或支链(C1-C6)烷基、芳基或芳基-(C1-C6)烷基，其中烷基部分是线性或支链的，R2a和R2b相同或不同，如说明书中所定义，R3代表芳基或杂环芳基-A，其中每个基团都可以选择性地被取代，Y代表芳氧基、杂芳氧基或杂环芳基-B，其中每个基团都可以选择性地被取代，其异构体、水合物、溶剂化物和其与药用可接受酸的加合物。含有此化合物的药物在治疗已知存在内皮功能障碍的疾病或病理条件中有用。
• Linear or cyclic ureas
  申请人：Les Laboratoires Servier

  公开号：US06566364B2

  公开（公告）日：2003-05-20

  Compound of formula (I): wherein: V represents a single bond or an alkylene chain, M represents a single bond or an alkylene chain, A and E each represents nitrogen or CH, but at least one of the two groups A or E represents nitrogen, W represents a group of formula (i), (ii) or (iii): Medicinal products containing the same which are useful in the treatment of diseases or pathological conditions in which endothelial dysfunction is known.

  化合物的式子（I）：其中：V代表单键或者烷基链，M代表单键或者烷基链，A和E分别代表氮或CH，但是其中至少一个A或E代表氮，W代表式子（i），（ii）或（iii）的一组：包含这些化合物的药品在治疗内皮功能障碍引起的疾病或病理情况方面有用。
• Linear cyclic ureas
  申请人：Les Laboratoires Servier

  公开号：US06780868B2

  公开（公告）日：2004-08-24

  Compounds of formula (I): wherein: V represents a single bond or a linear or branched (C1-C6)alkylene chain, M represents a single bond or a linear or branched (C1-C6)alkylene chain, A and E each represents nitrogen or CH, but at least one of the two groups A or E represents nitrogen, W represents a group of formula (i): X represents carbonyl, G1 represents a linear C3 alkylene chain optionally containing a double bond and/or being optionally substituted by a hydroxyl group, their isomers, their hydrates, their solvates, and additional salts thereof with a pharmaceutically acceptable acid, and medicinal products containing the same which are useful in the treatment of diseases or pathological conditions in which endothelial dysfunction is known.

  化合物的化学式（I）：其中：V代表单键或线性或支链（C1-C6）烷基链，M代表单键或线性或支链（C1-C6）烷基链，A和E分别代表氮或CH，但至少两个基团A或E中的一个代表氮，W代表公式（i）的基团：X代表羰基，G1代表线性C3烷基链，可选地含有双键和/或被羟基取代，它们的异构体，它们的水合物，它们的溶剂化物以及它们与药学上可接受的酸的额外盐，以及含有它们的药物制剂，用于治疗已知存在内皮功能障碍的疾病或病理情况。