1-哌啶羧酸,3-氨基-3-甲基,苯甲基酯 | 174543-80-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-哌啶羧酸,3-氨基-3-甲基,苯甲基酯
• 英文名称: Benzyl 3-amino-3-methylpiperidine-1-carboxylate
• CAS: 174543-80-7
• 化学式: C₁₄H₂₀N₂O₂
• 分子量: 248.325
• InChiKey: OZEVNWHCQACRDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  55.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-哌啶羧酸,3-氨基-3-甲基,苯甲基酯 在 palladium on activated charcoal 4-二甲氨基吡啶 、 氢气 、 N,N-二异丙基乙胺 作用下， 以 吡啶 、 乙醇 、 二氯甲烷 为溶剂， 生成 (S)-2-(3-Acetylamino-3-methyl-piperidin-1-yl)-propionic acid methyl ester
  参考文献：
  名称：

  On the Ritter reaction of cyclic hydroxyamines: Synthesis of conformationally-restricted reduced amide dipeptide isosteres

  摘要：

  The Ritter reactions of 3-alkyl-3-hydroxyazetidine or -piperidine derivatives give low yields of the desired products, whereas the 3-aIkyl-3-hydroxy-pyrrolidine and 4-alkyl-4-hydroxy-piperidine derivatives react smoothly to give the corresponding acetamides. An alternative route to 3-acylamino-3-alkylpiperidines, which were designed as conformationally-restricted reduced amide dipeptide isosteres, was devised from nipecotic acid via a Hofmann rearrangement.

  DOI：

  10.1016/0040-4039(95)02378-x
• 作为产物：
  描述：

  哌啶-1,3-二羧酸-1-苄酯-3-甲酯 在 吡啶 、 N,N-二甲基丙烯基脲 、 ammonium hydroxide 、 sodium hydroxide 、 三乙胺 、 [双(三氟乙酰氧基)碘]苯 、 lithium hexamethyldisilazane 、 氯甲酸异丁酯 作用下， 以 四氢呋喃 、 水 、 乙腈 为溶剂， 生成 1-哌啶羧酸,3-氨基-3-甲基,苯甲基酯
  参考文献：
  名称：

  On the Ritter reaction of cyclic hydroxyamines: Synthesis of conformationally-restricted reduced amide dipeptide isosteres

  摘要：

  The Ritter reactions of 3-alkyl-3-hydroxyazetidine or -piperidine derivatives give low yields of the desired products, whereas the 3-aIkyl-3-hydroxy-pyrrolidine and 4-alkyl-4-hydroxy-piperidine derivatives react smoothly to give the corresponding acetamides. An alternative route to 3-acylamino-3-alkylpiperidines, which were designed as conformationally-restricted reduced amide dipeptide isosteres, was devised from nipecotic acid via a Hofmann rearrangement.

  DOI：

  10.1016/0040-4039(95)02378-x

文献信息

• [EN] TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES TRICYCLIQUES, LEURS COMPOSITIONS ET PROCÉDÉS D'UTILISATION
  申请人：HOFFMANN LA ROCHE

  公开号：WO2011086053A1

  公开（公告）日：2011-07-21

  The invention provides novel compounds of formula (I) having the general formula, wherein R1, R2, R3, X and Y are as described herein. Accordingly, the compounds may be provided in pharmaceutically acceptable compositions and used for the treatment of immunological or hyperproliferative disorders.

  该发明提供了具有通式（I）的新化合物，通式如下，其中R1、R2、R3、X和Y如本文所述。因此，这些化合物可以用于制备药学上可接受的组合物，并用于治疗免疫或过度增殖性疾病。
• TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF
  申请人：Babu Srinivasan

  公开号：US20110201593A1

  公开（公告）日：2011-08-18

  The invention provides novel compounds of formula I having the general formula: wherein R 1 , R 2 , R 3 , X and Y are as described herein. Accordingly, the compounds may be provided in pharmaceutically acceptable compositions and used for the treatment of immunological or hyperproliferative disorders.

  本发明提供了具有以下一般式的新化合物I： 其中R1、R2、R3、X和Y如本文所述。因此，这些化合物可以在药学上可接受的组合物中提供，并用于治疗免疫或过度增生性疾病。
• Tricyclic heterocyclic compounds, compositions and methods of use thereof
  申请人：Babu Srinivasan

  公开号：US08461328B2

  公开（公告）日：2013-06-11

  The invention provides novel compounds of formula I having the general formula: wherein R1, R2, R3, X and Y are as described herein. Accordingly, the compounds may be provided in pharmaceutically acceptable compositions and used for the treatment of immunological or hyperproliferative disorders.

  该发明提供了一种具有公式I的新化合物，其一般公式为：其中R1，R2，R3，X和Y如本文所述。因此，这些化合物可以以药学上可接受的成分形式提供，并用于治疗免疫或过度增生性疾病。
• US8461328B2
  申请人：——

  公开号：US8461328B2

  公开（公告）日：2013-06-11
• On the Ritter reaction of cyclic hydroxyamines: Synthesis of conformationally-restricted reduced amide dipeptide isosteres
  作者：G.Mark Taylor、Stewart J Baker、Andrea Gedney、David J Pearson、Graham E.M Sibley

  DOI：10.1016/0040-4039(95)02378-x

  日期：1996.2

  The Ritter reactions of 3-alkyl-3-hydroxyazetidine or -piperidine derivatives give low yields of the desired products, whereas the 3-aIkyl-3-hydroxy-pyrrolidine and 4-alkyl-4-hydroxy-piperidine derivatives react smoothly to give the corresponding acetamides. An alternative route to 3-acylamino-3-alkylpiperidines, which were designed as conformationally-restricted reduced amide dipeptide isosteres, was devised from nipecotic acid via a Hofmann rearrangement.