ethyl 3-(neopentylamino)propionate | 130935-34-1

• 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: ethyl 3-(neopentylamino)propionate
• 英文别名: Ethyl 3-(2,2-dimethylpropylamino)propanoate
• CAS: 130935-34-1
• 化学式: C₁₀H₂₁NO₂
• 分子量: 187.282
• InChiKey: ZIUVSYCUFCGYNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl 3-(neopentylamino)propionate 在 4-二甲氨基吡啶 、 四丁基溴化铵 、 potassium carbonate 、 一水合肼 、 三乙胺 、 sodium t-butanolate 作用下， 以 乙醇 、 二氯甲烷 、 水 、 异丙醇 为溶剂， 反应 38.08h， 生成 (E)-2-(2-(aminomethyl)-3-fluoroallyl)-5-neopentyl-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-c]pyridin-4-one hydrochloride
  参考文献：
  名称：

  EP3892621

  摘要：

  公开号：
• 作为产物：
  描述：

  特戊胺 、 丙烯酸乙酯 以 乙醇 为溶剂， 反应 3.0h， 以100%的产率得到ethyl 3-(neopentylamino)propionate
  参考文献：
  名称：

  EP3892621

  摘要：

  公开号：

文献信息

• HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF
  申请人：Nanjing Transthera Biosciences Co., Ltd.

  公开号：EP3892621A1

  公开（公告）日：2021-10-13

  The present invention relates to the technical field of pharmaceuticals. Specifically, the present invention relates to a halo-allylamine compound, or a pharmaceutically acceptable salt, an ester, a stereoisomer or a tautomer thereof, and a pharmaceutical formulation and a pharmaceutical composition comprising the compounds, and use in preventing and/or treating a disease related to or mediated by the SSAO/VAP-1 protein, wherein R1, R2, R3, R4, R5, R6, L1 and Cy1 are defined in the specification.

  本发明涉及制药技术领域。具体而言，本发明涉及一种卤代烯丙基胺化合物或其药学上可接受的盐、酯、立体异构体或同系物，以及包含该化合物的药物制剂和药物组合物，并用于预防和/或治疗与 SSAO/VAP-1 蛋白质有关或由其介导的疾病、 其中 R1、R2、R3、R4、R5、R6、L1 和 Cy1 在说明书中定义。
• [EN] HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF<br/>[FR] COMPOSÉS D'HALOGÉNOALLYLAMINE ET LEUR UTILISATION<br/>[ZH] 卤代烯丙基胺类化合物及其应用
  申请人：NANJING TRANSTHERA BIOSCIENCES CO LTD

  公开号：WO2020143763A1

  公开（公告）日：2020-07-16

  本发明涉及医药技术领域。具体而言，本发明涉及卤代烯丙基胺类化合物式（I）或其药学上可接受的盐、酯、立体异构体、互变异构体，及包含这些化合物的药物制剂、药物组合物，及其在预防和/或治疗与SSAO/VAP-1蛋白有关或由SSAO/VAP-1蛋白介导的疾病中的应用。其中，R1、R2、R3、R4、R5、R6、L1、Cy1如说明书中所定义。
• Synthesis of nitrogen-containing polycycles via rhodium(II)-induced cyclization-cycloaddition and insertion reactions of N-(diazoacetoacetyl)amides. Conformational control of reaction selectivity
  作者：Michael P. Doyle、Roland J. Pieters、Jack Taunton、Hoan Q. Pho、Albert Padwa、Donald L. Hertzog、Laura Precedo

  DOI：10.1021/jo00002a058

  日期：1991.1

  A series of diazoacetoacetamides, when treated with a catalytic quantity of a rhodium(II) carboxylate, were found to afford products derived from both a carbonyl ylide intermediate and intramolecular C-H insertion. With 3-(N-(diazoacetoacetyl)amino)propanoate derivatives, the rhodium(II)-catalyzed carbenoid reactions exhibit a strong preference for formation of a beta-lactam ring. This is attributed to a conformational preference that juxtaposes the carbenoid center and the less sterically encumbered amide substituent and is consistent with an activating influence on the C-H bond adjacent to the amide nitrogen atom. Carbonyl ylide products derived from carbenoid cyclization onto the ester carbonyl group are also formed, and their relative yields are dependent on electronic influences from the bridging ligands of rhodium(II). Treatment of a series of cyclic diazoimides with rhodium(II) acetate resulted in cyclization of the rhodium carbenoid onto the adjacent imide carbonyl group to produce an isomunchnone dipole. Cyclization onto the imide carbonyl group occurs exclusively even when C-H insertion or aromatic substitution reactions of the carbenoid intermediate are favorable, and this selectivity is also attributed to conformational preferences that juxtapose the carbenoid center and imide carbonyl group. The isomunchnone dipole readily undergoes cycloaddition with several different dipolarophiles to give 1,3-dipolar cycloadducts. When acetylenic dipolarophiles were used as the trapping agents, the initial cycloadducts were found to undergo a [4 + 2]-cycloreversion, producing substituted furans in high yield. The generality of the method was demonstrated by varying the ring size of the cyclic imide. An analogous cyclization-cycloaddition reaction also occurred using diazoacetoacetyl-substituted ureas.
• DRAGAN, V. A.;VESELOVSKIJ, V. V.;DAEVA, E. D.;MOISEENKOV, A. M., IZV. AN CCCP. CEP. XIM.,(1991) N, S. 857-862
  作者：DRAGAN, V. A.、VESELOVSKIJ, V. V.、DAEVA, E. D.、MOISEENKOV, A. M.

  DOI：——

  日期：——
• EP3892621
  申请人：——

  公开号：——

  公开（公告）日：——