1-Benzyl-pyrrolidincarbonsaeure-2-ethylester | 60251-42-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-Benzyl-pyrrolidincarbonsaeure-2-ethylester
• 英文别名: 1-Benzyl-pyrrolidin-2-carbonsaeure-ethylester；ethyl 1-benzylpyrrolidine-2-carboxylate
• CAS: 60251-42-5
• 化学式: C₁₄H₁₉NO₂
• 分子量: 233.31
• InChiKey: FLASAKCDOWUBQX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-Benzyl-pyrrolidincarbonsaeure-2-ethylester 以88%的产率得到
  参考文献：
  名称：

  MORAGUES J.; PRIETO J.; SPICKETT R. G. W.; VEGA A., J. CHEM. SOC. PERKIN TRANS., PART 1 , 1976, NO 9, 938-940

  摘要：

  DOI：
• 作为产物：
  描述：

  N-苄基羟胺 在 四乙基碘化铵 、 三乙胺 、 lithium diisopropyl amide 作用下， 以 六甲基磷酰三胺 为溶剂， 生成 1-Benzyl-pyrrolidincarbonsaeure-2-ethylester
  参考文献：
  名称：

  氮上的分子内亲核取代。新的杂环合成

  摘要：

  已经制备了一系列的5-（二苯基膦基氧基氨基）戊酸酯。用适当的碱处理它们导致环化为脯氨酸衍生物。该反应是第一个报道的分子内氮亲核取代的情况。

  DOI：

  10.1016/0040-4039(95)01567-2

文献信息

• Thiophene derivatives useful as anticancer agents
  申请人：——

  公开号：US20020042409A1

  公开（公告）日：2002-04-11

  The invention relates to compounds of the formula 1 1 or a pharmaceutically acceptable salt and to pharmaceutically acceptable salts and hydrates thereof, wherein X, Y, R 1 , R 2 and R 11 are as defined herein. The invention also relates to pharmaceutical compositions containing the compounds of formula 1 and to methods of treating hyperproliferative disorders in a mammal by administering the compounds of formula 1.

  该发明涉及公式11的化合物或其药用可接受盐，以及其药用可接受盐和水合物，其中X、Y、R1、R2和R11如本文所定义。该发明还涉及含有公式1化合物的药物组合物，以及通过给哺乳动物施用公式1化合物来治疗过度增殖性疾病的方法。
• One-Carbon Ring Expansion of Azetidines via Ammonium Ylide [1,2]-Shifts: A Simple Route to Substituted Pyrrolidines
  作者：Tina M. Bott、John A. Vanecko、F. G. West

  DOI：10.1021/jo9001323

  日期：2009.4.3

  diazocarbonyl compounds in the presence of catalytic Cu(acac)2 to furnish substituted pyrrolidines via Stevens [1,2]-shift. In all but two examples, complete selectivity was seen for ring expansion rather than migration of the other exocyclic group on the azetidinium nitrogen. The two exceptions, observed with ylides substituted with two carbonyl groups and lacking a stabilizing group at the 2-position

  在催化性Cu（acac）2存在下，将简单的N-取代的氮杂环丁烷与重氮羰基化合物一起加热，以通过Stevens [1,2]-位移提供取代的吡咯烷。除了两个实例以外，在氮杂环丁烷氮上，对于环的扩张而不是其他外环基团的迁移，都具有完全的选择性。对于两个被两个羰基取代且在氮杂环丁烷2位上缺乏稳定基团的烷基化物所观察到的两个例外，它们经历了环外苄基迁移，优先于环的扩展。
• N-Aryl Diazaspirocyclic Compounds and Methods of Preparation and Use Thereof
  申请人：Bhatti Balwinder S.

  公开号：US20080214591A1

  公开（公告）日：2008-09-04

  Compounds, pharmaceutical compositions including the compounds, and methods of preparation and use thereof are disclosed. The compounds are N-aryl diazaspirocyclic compounds, bridged analogs of N-heteroaryl diazaspirocyclic compounds, or prodrugs or metabolites of these compounds. The aryl group can be a five- or six-membered heterocyclic ring (heteroaryl). The compounds and compositions can be used to treat and/or prevent a wide variety of conditions or disorders, particularly those disorders characterized by dysfunction of nicotinic cholinergic neurotransmission, including disorders involving neuromodulation of neurotransmitter release, such as dopamine release. CNS disorders, which are characterized by an alteration in normal neurotransmitter release, are another example of disorders that can be treated and/or prevented. The compounds and compositions can also be used to alleviate pain. The compounds can: (i) alter the number of nicotinic cholinergic receptors of the brain of the patient, (ii) exhibit neuroprotective effects and (iii) when employed in effective amounts, not result in appreciable adverse side effects (e.g., side effects such as significant increases in blood pressure and heart rate, significant negative effects upon the gastro-intestinal tract, and significant effects upon skeletal muscle).

  本文揭示了化合物、包含这些化合物的药物组合物以及其制备和使用方法。这些化合物是N-芳基二氮杂螺环化合物、N-杂芳基二氮杂螺环化合物的桥接类似物，或这些化合物的前药或代谢物。芳基基团可以是五元或六元杂环环（杂芳基）。这些化合物和组合物可用于治疗和/或预防各种疾病或障碍，特别是那些以尼古丁胆碱能神经递质功能障碍为特征的障碍，包括涉及神经递质释放的神经调节障碍，如多巴胺释放。中枢神经系统障碍是另一个可以治疗和/或预防的障碍的例子，其特征是正常神经递质释放的改变。这些化合物和组合物还可用于缓解疼痛。这些化合物可以：（i）改变患者大脑中尼古丁胆碱能受体的数量，（ii）表现出神经保护作用，（iii）在有效剂量下，不会产生明显的不良副作用（例如，明显增加血压和心率、对胃肠道产生明显的负面影响以及对骨骼肌产生明显的影响）。
• Therapeutic Compounds
  申请人：Katz Jason

  公开号：US20110207711A1

  公开（公告）日：2011-08-25

  The present invention relates to pyrazolopyridines and imidazopyridines which are inhibitors of the kinase PDK1 and are thus useful for the treatment of myeloproliferative disorders or cancer. The compounds are also useful as inhibitors of other kinases such as FGFR3, NTRK3, RP-S6K and WEE1. Furthermore, the present compounds also selectively inhibit microtubule affinity regulating kinase (MARK) and are therefore useful for the treatment or prevention of Alzheimer's disease.

  本发明涉及一种抑制激酶PDK1的吡唑吡啶和咪唑吡啶化合物，因此可用于治疗骨髓增生性疾病或癌症。这些化合物也可用作其他激酶的抑制剂，例如FGFR3、NTRK3、RP-S6K和WEE1。此外，本化合物还具有选择性抑制微管亲和力调节激酶（MARK）的作用，因此可用于治疗或预防阿尔茨海默病。
• N-ARYL DIAZASPIROCYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF
  申请人：Bhatti Balwinder S.

  公开号：US20110105548A1

  公开（公告）日：2011-05-05

  Compounds, pharmaceutical compositions including the compounds, and methods of preparation and use thereof are disclosed. The compounds are N-aryl diazaspirocyclic compounds, bridged analogs of N-heteroaryl diazaspirocyclic compounds, or prodrugs or metabolites of these compounds. The aryl group can be a five- or six-membered heterocyclic ring (heteroaryl). The compounds and compositions can be used to treat and/or prevent a wide variety of conditions or disorders, particularly those disorders characterized by dysfunction of nicotinic cholinergic neurotransmission, including disorders involving neuromodulation of neurotransmitter release, such as dopamine release. CNS disorders, which are characterized by an alteration in normal neurotransmitter release, are another example of disorders that can be treated and/or prevented. The compounds and compositions can also be used to alleviate pain. The compounds can: (i) alter the number of nicotinic cholinergic receptors of the brain of the patient, (ii) exhibit neuroprotective effects and (iii) when employed in effective amounts, not result in appreciable adverse side effects (e.g., side effects such as significant increases in blood pressure and heart rate, significant negative effects upon the gastro-intestinal tract, and significant effects upon skeletal muscle).

  本文介绍了N-芳基二氮杂螺环化合物、N-杂芳基二氮杂螺环化合物的桥接类似物以及这些化合物的前药或代谢物。芳基可以是五元或六元杂环环（杂芳基）。这些化合物和组合物可以用于治疗和/或预防各种条件或疾病，特别是那些以尼古丁乙酰胆碱神经递质功能障碍为特征的疾病，包括涉及神经递质释放的神经调节疾病，如多巴胺释放。中枢神经系统疾病是另一种可以治疗和/或预防的疾病，其特征是正常神经递质释放的改变。这些化合物和组合物也可以用于缓解疼痛。这些化合物可以：（i）改变患者大脑中尼古丁乙酰胆碱受体的数量，（ii）表现出神经保护效果，以及（iii）在有效剂量下，不会产生明显的不良副作用（例如，明显增加血压和心率、对胃肠道产生明显负面影响和对骨骼肌产生明显影响等副作用）。