methyl 1-ethyl-5-oxo-3-pyrrolidinecarboxylate | 100911-29-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: methyl 1-ethyl-5-oxo-3-pyrrolidinecarboxylate
• 英文别名: rac-1-ethyl-5-oxopyrrolidine-3-carboxylic acid methyl ester；1-Ethyl-3-methoxycarbonyl-pyrrolidon-(5)；1-ethyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester；1-Aethyl-5-oxo-pyrrolidin-3-carbonsaeure-methylester；methyl 1-ethyl-5-oxopyrrolidine-3-carboxylate
• CAS: 100911-29-3
• 化学式: C₈H₁₃NO₃
• mdl: MFCD08752836
• 分子量: 171.196
• InChiKey: YGAROMNNYOLXKI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 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：

  methyl 1-ethyl-5-oxo-3-pyrrolidinecarboxylate 在 水 、 lithium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 生成 1-乙基-5-氧代吡咯烷-3-羧酸
  参考文献：
  名称：

  [EN] AZETIDIN-3-YLMETHANOL DERIVATIVES AS CCR6 RECEPTOR MODULATORS
  [FR] DÉRIVÉS D'AZÉTIDIN-3-YLMÉTHANOL EN TANT QUE MODULATEURS DU RÉCEPTEUR CCR6

  摘要：

  本发明涉及式(I)化合物，其合成以及作为CCR6受体调节剂用于治疗或预防各种疾病、状况或障碍。

  公开号：

  WO2021219849A1
• 作为产物：
  描述：

  衣康酸二甲酯 、 乙胺 以 甲醇 为溶剂， 反应 12.0h， 以85%的产率得到methyl 1-ethyl-5-oxo-3-pyrrolidinecarboxylate
  参考文献：
  名称：

  化学合成对映体纯的对羟基乙酸甲酯的氮杂类似物和甲基β-脯氨酸的两种对映体的化学酶法

  摘要：

  通过酶促拆分相应的手性外消旋混合物，获得1-烷基-5-氧代-3-吡咯烷羧酸的对映体纯甲酯。在1-苄基衍生物和α-胰凝乳蛋白酶之间观察到特别有利的相互作用，这也得到分子力学计算的支持，其对映体比率E超过200。内酰胺的绝对构型是通过CD光谱法确定的。从所得对映体纯的（99％ee）（S）-（+）-1-苄基-3-吡咯烷羧酸和（R）-（-）-1-苄基-3-吡咯烷甲酸甲酯，（+ ）和（-）-β-脯氨酸的合成产率分别为99％ee和18％和22％。

  DOI：

  10.1016/s0957-4166(01)00523-7

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。
• THIAZOLE DERIVATIVE
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP2530078A1

  公开（公告）日：2012-12-05

  Provided is a compound having an agonist action on GPR52, which is useful as a prophylactic or therapeutic drug for mental diseases such as schizophrenia and the like, and the like. A compound represented by the formula (I): wherein each symbol is as defined in the specification, or a salt thereof.

  提供了一种对GPR52具有激动剂作用的化合物，该化合物可作为预防或治疗精神疾病如精神分裂症等的药物。一种由以下通式（I）表示的化合物：其中各个符号的定义如说明书中所述，或其盐形式。
• 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。
• COSMETIC COMPOSITIONS COMPRISING AN ESTER DERIVED FROM 4-CARBOXY-2-PYRROLIDINONE AND A MEROCYANIN SCREENING AGENT; USE OF SAID DERIVATIVE AS A SOLVENT FOR A MEROCYANIN SCREENING AGENT
  申请人：Richard Herve

  公开号：US20120269749A1

  公开（公告）日：2012-10-25

  The present invention relates to a composition comprising, in a cosmetically acceptable medium, at least one ester derived from 4-carboxy-2-pyrrolidinone, of formula (I) below: in which: R 1 denotes a linear or branched C 1 -C 20 alkyl radical, R 2 denotes a linear or branched C 1 -C 20 alkyl radical that may contain a C 5 -C 6 ring, the phenyl radical, the benzyl radical or the phenethyl radical, and at least one merocyanin-type UV screening agent. The present invention also relates to the use of at least one ester derived from 4-carboxy-2-pyrrolidinone, of formula (I), as defined above, in a composition comprising, in a cosmetically acceptable medium, at least one merocyanin-type UV screening agent, as a solvent for said merocyanin screening agent, in and/or as an agent for improving the solubility of said merocyanin screening agent in said composition or with the aim of improving the sun protection factor.

  本发明涉及一种组合物，该组合物在化妆上可接受的介质中包含至少一种来自4-羧基-2-吡咯烷酮的酯，其化学式（I）如下： 其中： R1表示线性或支链C1-C20烷基基团， R2表示线性或支链C1-C20烷基基团，可能包含C5-C6环，苯基基团，苄基基团或苯乙基基团， 以及至少一种美洛氰染料型UV筛选剂。 本发明还涉及使用上述定义的化学式（I）中的至少一种来自4-羧基-2-吡咯烷酮的酯，在化妆上可接受的介质中包含至少一种美洛氰染料型UV筛选剂的组合物中，作为上述美洛氰染料型筛选剂的溶剂，在/或作为改善上述美洛氰染料型筛选剂在该组合物中的溶解度或改善防晒系数的剂。