5-氧代-1-苯乙基吡咯烷-3-羧酸甲酯 | 100718-54-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 中文名称: 5-氧代-1-苯乙基吡咯烷-3-羧酸甲酯
• 英文名称: 1-Phenethyl-3-methoxycarbonyl-pyrrolidon-(5)
• 英文别名: methyl 5-oxo-1-phenethylpyrrolidine-3-carboxylate；5-oxo-1-phenethyl-pyrrolidine-3-carboxylic acid methyl ester；Methyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
• CAS: 100718-54-5
• 化学式: C₁₄H₁₇NO₃
• 分子量: 247.294
• InChiKey: PBDFLHDOLZAQHM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-氧代-1-苯乙基吡咯烷-3-羧酸甲酯 在 水 、 potassium hydroxide 作用下， 以 四氢呋喃 为溶剂， 以99%的产率得到5-氧代-1-(2-苯基乙基)吡咯烷-3-羧酸
  参考文献：
  名称：

  Inhibition of noroviruses by piperazine derivatives

  摘要：

  There is currently an unmet need for the development of small-molecule therapeutics for norovirus infection. The piperazine scaffold, a privileged structure embodied in many pharmacological agents, was used to synthesize an array of structurally-diverse derivatives which were screened for anti-norovius activity in a cell-based replicon system. The studies described herein demonstrate for the first time that functionalized piperazine derivatives possess anti-norovirus activity. Furthermore, these studies have led to the identification of two promising compounds (6a and 9I) that can be used as a launching pad for the optimization of potency, cytotoxicity, and drug-like characteristics. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.10.122
• 作为产物：
  描述：

  衣康酸二甲酯 、 2-苯乙胺 以 甲醇 为溶剂， 反应 2.0h， 以60%的产率得到5-氧代-1-苯乙基吡咯烷-3-羧酸甲酯
  参考文献：
  名称：

  Inhibition of noroviruses by piperazine derivatives

  摘要：

  There is currently an unmet need for the development of small-molecule therapeutics for norovirus infection. The piperazine scaffold, a privileged structure embodied in many pharmacological agents, was used to synthesize an array of structurally-diverse derivatives which were screened for anti-norovius activity in a cell-based replicon system. The studies described herein demonstrate for the first time that functionalized piperazine derivatives possess anti-norovirus activity. Furthermore, these studies have led to the identification of two promising compounds (6a and 9I) that can be used as a launching pad for the optimization of potency, cytotoxicity, and drug-like characteristics. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.10.122

文献信息

• Cosmetic compositions comprising photostabilized dibenzoylmethane compounds and 2-pyrrolidinone-4- carboxy esters
  申请人：Richard Hervé

  公开号：US20100183529A1

  公开（公告）日：2010-07-22

  Photostable cosmetic compositions contain, formulated into a cosmetically acceptable vehicle, at least one UV-screening system that includes: (a) at least one dibenzoylmethane compound, and (b) at least one 2-pyrrolidinone-4-carboxy ester compound having the following formula (I): in which: R 1 is a linear or branched C 1 -C 20 alkyl radical, and R 2 is a linear or branched C 1 -C 20 alkyl radical which optionally includes a C 5 -C 6 ring member, the phenyl radical, the benzyl radical or the phenethyl radical.

  光稳定的化妆品组合物包含至少一种紫外线屏障系统，配制成化妆上可接受的载体，其中包括： (a) 至少一种二苯甲酮化合物，以及 (b) 具有以下式(I)的至少一种2-吡咯烷酮-4-羧酯化合物： 其中： R1是线性或支链的C1-C20烷基基团，以及 R2是线性或支链的C1-C20烷基基团，可选地包括一个C5-C6环成员，苯基基团，苄基基团或苯乙基基团。
• [EN] ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES<br/>[FR] DERIVES ANTIBACTERIENS D'AMINOQUINAZOLIDINEDIONE
  申请人：WARNER LAMBERT CO

  公开号：WO2005049605A1

  公开（公告）日：2005-06-02

  Compounds of formula (I) wherein: A is Formula (II), Formula (III), or Formula (IV) and B is Formula (V), Formula (VI), or Formula (VII), can be used in a variety of applications including use as antibacterial agents.

  式(I)的化合物中：A是式(II)、式(III)或式(IV)，B是式(V)、式(VI)或式(VII)，可用于各种应用，包括用作抗菌剂。
• [EN] QUINOLONE ANTIBACTERIAL AGENTS<br/>[FR] AGENTS ANTIBACTERIENS A LA QUINOLONE
  申请人：WARNER LAMBERT CO

  公开号：WO2005049602A1

  公开（公告）日：2005-06-02

  Compounds of formula (I) wherein A is formula (II), formula (III) or formula (IV), and B is formula (V), formula (VI), or formula (VII), can be used in a variety of applications including use as antibacterial agents.

  式(I)的化合物中，其中A是式(II)，式(III)或式(IV)，B是式(V)，式(VI)或式(VII)，可用于各种应用，包括用作抗菌剂。
• COSMETIC AND/OR DERMATOLOGICAL COMPOSITION CONTAINING A MEROCYANINE DERIVATIVE COMPRISING SPECIFIC POLAR GROUPS CONSISTING OF HYDROXYL- AND ETHER-FUNCTIONALITIES
  申请人：Richard Herve

  公开号：US20140294743A1

  公开（公告）日：2014-10-02

  The present invention relates to a cosmetic and/or dermatological composition comprising in a physiologically acceptable medium at least one merocyanine derivative of formula (1) or (2) and/or its E,E-, E,Z- or Z,Z-geometrical isomer forms: comprising specific polar groups consisting of hydroxyl- and ether-functionalities. Another object of the present invention relates to a cosmetic process for controlling and/or improving the darkening of the skin under exposure to UV radiation and the homogeneity of the colour of the complexion which comprises the application onto the skin of a cosmetic composition as above defined. Another object of the present invention relates to a cosmetic process for protecting the keratinic materials and particularly the skin against photo-ageing which comprises the application onto the keratinic material of a cosmetic composition as above defined.

  本发明涉及一种化妆品和/或皮肤科学组合物，其在生理上可接受的介质中包含至少一种公式（1）或（2）的merocyanine衍生物及/或其E，E-，E，Z-或Z，Z-几何异构体形式：包括由羟基和醚功能团组成的特定极性基团。本发明的另一个目的涉及一种化妆过程，用于控制和/或改善皮肤在紫外线照射下的变黑和肤色均匀性，包括在皮肤上涂抹上述定义的化妆品组合物。本发明的另一个目的涉及一种化妆过程，用于保护角质素材料，特别是皮肤免受光老化的影响，包括在角质素材料上涂抹上述定义的化妆品组合物。
• Cosmetic compositions comprising 4-carboxy-2-pyrrolidinone esters and triazine lipophilic UV-screening agents
  申请人：Richard Hervé

  公开号：US20100183530A1

  公开（公告）日：2010-07-22

  UV-screening compositions, formulated into a cosmetically acceptable medium, contain at least one ester solvent derived from 4-carboxy-2-pyrrolidinone, of formula (I) below: in which: R 1 is a linear or branched C 1 -C 20 alkyl radical, R 2 is a linear or branched C 1 -C 20 alkyl radical that may contain a C 5 -C 6 ring member, the phenyl radical, the benzyl radical or the phenethyl radical, and at least one triazine-type lipophilic UV-screening agent.

  防紫外线配方，配制成化妆品可接受的介质，含有至少一种由4-羧基-2-吡咯烷酮衍生的酯溶剂，其化学式（I）如下：其中：R1是线性或支链C1-C20烷基基团，R2是线性或支链C1-C20烷基基团，可能包含C5-C6环成员，苯基基团，苄基基团或苯乙基基团，以及至少一种三嗪型亲脂性紫外线筛选剂。