1-BOC-2-乙烯基-4-哌啶酮 | 796112-47-5

• 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: 1-BOC-2-乙烯基-4-哌啶酮
• 英文名称: tert-butyl 4-oxo-2-vinylpiperidine-1-carboxylate
• 英文别名: 1,1-dimethylethyl 2-ethenyl-4-oxo-1-piperidinecarboxylate；1-Boc-2-vinyl-4-piperidinone；tert-butyl 2-ethenyl-4-oxopiperidine-1-carboxylate
• CAS: 796112-47-5
• 化学式: C₁₂H₁₉NO₃
• 分子量: 225.288
• InChiKey: RYOAUCXCMVLSET-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 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：

  1-BOC-2-乙烯基-4-哌啶酮 在 sodium periodate 、 四氧化锇 、 正丁基锂 、 三乙酰氧基硼氢化钠 、 溶剂黄146 、 N-甲基吗啉氧化物 、 二异丙胺 作用下， 以 四氢呋喃 、 正己烷 、 水 、 正丁醇 为溶剂， 反应 10.0h， 生成 Tert-butyl 4-[(6-chloro-2-methoxyquinolin-3-yl)-(4-chlorophenyl)methyl]-4-hydroxy-2-[[methyl(propyl)amino]methyl]piperidine-1-carboxylate
  参考文献：
  名称：

  ANTIBACTERIAL QUINOLINE DERIVATIVES

  摘要：

  本发明涉及根据通用式(Ia)或式(Ib)的新型取代喹啉衍生物：包括其任何立体化异构体、药学上可接受的盐、N-氧化物形式或溶剂化合物。所述化合物可用于治疗细菌感染。还声明了一种包含药学上可接受的载体和所述化合物的治疗有效量作为活性成分的组合物，以及所述化合物或组合物用于制备治疗细菌感染的药物的用途和制备所述化合物的方法。

  公开号：

  US20150051244A1
• 作为产物：
  描述：

  二碳酸二叔丁酯 在 lithium hydrotris(1-methylpropyl)-borate 作用下， 以 四氢呋喃 为溶剂， 反应 6.17h， 生成 1-BOC-2-乙烯基-4-哌啶酮
  参考文献：
  名称：

  ANTIBACTERIAL QUINOLINE DERIVATIVES

  摘要：

  本发明涉及根据通用式(Ia)或式(Ib)的新型取代喹啉衍生物：包括其任何立体化异构体、药学上可接受的盐、N-氧化物形式或溶剂化合物。所述化合物可用于治疗细菌感染。还声明了一种包含药学上可接受的载体和所述化合物的治疗有效量作为活性成分的组合物，以及所述化合物或组合物用于制备治疗细菌感染的药物的用途和制备所述化合物的方法。

  公开号：

  US20150051244A1

文献信息

• [EN] OXADIAZEPINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEPATITIS B INFECTIONS<br/>[FR] DÉRIVÉS D'OXADIAZÉPINONE ET LEUR UTILISATION DANS LE TRAITEMENT D'INFECTIONS PAR L'HÉPATITE B
  申请人：NOVIRA THERAPEUTICS INC

  公开号：WO2018005881A1

  公开（公告）日：2018-01-04

  Provided herein are compounds of formula (IA) and (III) useful for the treatment of HBV infection in a subject in need thereof, pharmaceutical compositions thereof, and methods of inhibiting, suppressing, or preventing HBV infection in the subject.

  本文提供了公式（IA）和（III）的化合物，用于治疗需要治疗HBV感染的受试者，以及其药物组合物和抑制、抑制或预防受试者HBV感染的方法。
• [EN] ANTIBACTERIAL QUINOLINE DERIVATIVES<br/>[FR] DÉRIVÉS DE QUINOLÉINE ANTIBACTÉRIENS
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2013160431A1

  公开（公告）日：2013-10-31

  The present invention relates to novel substituted quinoline derivatives according to the general Formula (Ia) or Formula (Ib): including any stereochemically isomeric form thereof, a pharmaceutically acceptable salt thereof, a N-oxide form thereof or a solvate thereof. The claimed compounds are useful for the treatment of a bacterial infection. Also claimed is a composition comprising a pharmaceutically acceptable carrier and, as active ingredient, a therapeutically effective amount of the claimed compounds, the use of the claimed compounds or compositions for the manufacture of a medicament for the treatment of a bacterial infection and a process for preparing the claimed compounds.

  本发明涉及根据通用式（Ia）或式（Ib）的新颖取代喹啉衍生物：包括其任何立体化异构体、其药学上可接受的盐、其N-氧化物形式或其溶剂化合物。所述化合物可用于治疗细菌感染。还声明了一种包含药学上可接受载体和所述化合物的治疗有效量作为活性成分的组合物，以及所述化合物或组合物用于制造治疗细菌感染药物的用途和制备所述化合物的方法。
• [EN] CYCLIC AMINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM<br/>[FR] DERIVES D'AMINE CYCLIQUES, PROCEDES DE PREPARATION DE CEUX-CI ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT
  申请人：GLAXO GROUP LTD

  公开号：WO2004099143A1

  公开（公告）日：2004-11-18

  A compound of formula (I) wherein R represents a radical selected from i) ii) iii) iv) where the substituents R1, R2, R3, R4, R4, R7 and the indices m, n and p are as defined in the description; or pharmaceutically acceptable salts and solvates thereof; processes for their preparation to pharmaceutical compositions containing them and their use in the treatment of conditions mediated by tachykinins and/or by selective inhibition of serotonin reuptake transporter protein.

  式（I）的化合物，其中R代表从i）ii）iii）iv）中选择的基团，其中取代基R1、R2、R3、R4、R5、R6、R7和指数m、n和p如描述中所定义；或其药学上可接受的盐和溶剂；它们的制备方法到含有它们的药物组合物以及它们在治疗由速效肽激酶介导的病症和/或通过选择性抑制血清素再摄取转运蛋白介导的病症中的应用。
• Cyclic amine derivatives, processes for their preparation, and pharmaceutical compositions containing them
  申请人：Alvaro Giuseppe

  公开号：US20070073061A1

  公开（公告）日：2007-03-29

  A compound of formula (I) wherein R is a radical selected from in which R 7 is halogen, cyano, C 1-4 alkyl, C 1-4 alkoxy, trifluoromethyl or trifluoromethoxy; p is an integer from 0 to 3; R 1 is hydrogen, halogen, cyano, C 2-4 alkenyl, C 1-4 alkyl optionally substituted by halogen, cyano or C 1-4 alkoxy; R 2 is hydrogen or C 1-4 alkyl; R 3 and R 4 independently are hydrogen, C 1-4 alkyl or R 3 together with R 4 is C 3-7 cycloalkyl; R 5 is phenyl substituted by 1 to 3 groups independently selected from trifluoromethyl, C 1-4 alkyl, cyano, C 1-4 alkoxy, trifluoromethoxy, halogen or (SO)rC 1-4 alkyl, naphthyl substituted by 1 to 3 groups independently selected from trifluoromethyl, C 1-4 alkyl, cyano, C 1-4 alkoxy, trifluoromethoxy, halogen or (SO)rC 1-4 alkyl, a 9 to 10 membered fused bicyclic heterocyclic group substituted by 1 to 3 groups independently selected from trifluoromethyl, C 1-4 alkyl, cyano, C 1-4 alkoxy, trifluoromethoxy, halogen or (SO)rC 1-4 alkyl or R 5 is a 5 or 6 membered heteroaryl group substituted by 1 to 3 groups independently selected from trifluoromethyl, C 1-4 alkyl, cyano, C 1-4 alkoxy, trifluoromethoxy, halogen or (SO)rC 1-4 alkyl; R 6 is hydrogen or (CH 2 )qR 8 ; R 8 is hydrogen, C 3-7 cycloalkyl, C 1-4 alkoxy, amine, C 1-4 alkylamine, (C 1-4 alkyl) 2 amine, OC(O)NR 9 R 10 or C(O)NR 9 R 10 ; R 9 and R 10 independently are hydrogen, C 1-4 alkyl or C 3-7 cycloalkyl; m is zero or 1; n is 1 or 2; q is an integer from 1 to 4; r is 1 or 2; or pharmaceutically acceptable salts and solvates thereof; processes for their preparation to pharmaceutical compositions containing them and their use in the treatment of conditions mediated by tachykinins and/or by selective inhibition of serotonin reuptake transporter protein.

  化合物的结构式为（I），其中R是选择自以下基团的基团，其中R7是卤素、氰基、C1-4烷基、C1-4烷氧基、三氟甲基或三氟甲氧基；p是从0到3的整数；R1是氢、卤素、氰基、C2-4烯基、C1-4烷基（可选择性地被卤素、氰基或C1-4烷氧基取代）；R2是氢或C1-4烷基；R3和R4分别是氢、C1-4烷基或R3与R4结合形成C3-7环烷基；R5是苯基，其上1到3个基团分别选择自三氟甲基、C1-4烷基、氰基、C1-4烷氧基、三氟甲氧基、卤素或（SO）rC1-4烷基；萘基，其上1到3个基团分别选择自三氟甲基、C1-4烷基、氰基、C1-4烷氧基、三氟甲氧基、卤素或（SO）rC1-4烷基；或9到10个成员的融合双环杂环基团，其上1到3个基团分别选择自三氟甲基、C1-4烷基、氰基、C1-4烷氧基、三氟甲氧基、卤素或（SO）rC1-4烷基；R5也可以是5或6个成员的杂芳基团，其上1到3个基团分别选择自三氟甲基、C1-4烷基、氰基、C1-4烷氧基、三氟甲氧基、卤素或（SO）rC1-4烷基；R6是氢或（CH2）qR8；R8是氢、C3-7环烷基、C1-4烷氧基、胺、C1-4烷基胺、（C1-4烷基）2胺、OC（O）NR9R10或C（O）NR9R10；R9和R10分别是氢、C1-4烷基或C3-7环烷基；m为零或1；n为1或2；q是从1到4的整数；r为1或2；或其药学上可接受的盐和溶剂；制备它们的方法，含有它们的药物组合物以及它们在治疗由Tachykinins和/或通过选择性抑制血清素再摄取转运蛋白介导的疾病中的用途。
• Cyclic Amine Derivatives, Processes For Their Preparation, And Pharmaceutical Compositions Containing Them
  申请人：Alvaro Giuseppe

  公开号：US20090192194A1

  公开（公告）日：2009-07-30

  A compound of formula (I) wherein R is a radical selected from in which R 7 is halogen, cyano, C 1-4 alkyl, C 1-4 alkoxy, trifluoromethyl or trifluoromethoxy; p is an integer from 0 to 3; R 1 is hydrogen, halogen, cyano, C 2-4 alkenyl, C 1-4 alkyl optionally substituted by halogen, cyano or C 1-4 alkoxy; R 2 is hydrogen or C 1-4 alkyl; R 3 and R 4 independently are hydrogen, C 1-4 alkyl or R 3 together with R 4 is C 3-7 cycloalkyl; R 5 is phenyl substituted by 1 to 3 groups independently selected from trifluoromethyl, C 1-4 alkyl, cyano, C 1-4 alkoxy, trifluoromethoxy, halogen or (SO)rC 1-4 alkyl, naphthyl substituted by 1 to 3 groups independently selected from trifluoromethyl, C 1-4 alkyl, cyano, C 1-4 alkoxy, trifluoromethoxy, halogen or (SO)rC 1-4 alkyl, a 9 to 10 membered fused bicyclic heterocyclic group substituted by 1 to 3 groups independently selected from trifluoromethyl, C 1-4 alkyl, cyano, C 1-4 alkoxy, trifluoromethoxy, halogen or (SO)rC 1-4 alkyl or R 5 is a 5 or 6 membered heteroaryl group substituted by 1 to 3 groups independently selected from trifluoromethyl, C 1-4 alkyl, cyano, C 1-4 alkoxy, trifluoromethoxy, halogen or (SO)rC 1-4 alkyl; R 6 is hydrogen or (CH 2 )qR 8 ; R 8 is hydrogen, C 3-7 cycloalkyl, C 1-4 alkoxy, amine, C 1-4 alkylamine, (C 1-4 alkyl) 2 amine, OC(O)NR 9 R 10 or C(O)NR 9 R 10 ; R 9 and R 10 independently are hydrogen, C 1-4 alkyl or C 3-7 cycloalkyl; m is zero or 1; n is 1 or 2; q is an integer from 1 to 4; r is 1 or 2; or pharmaceutically acceptable salts and solvates thereof; processes for their preparation to pharmaceutical compositions containing them and their use in the treatment of conditions mediated by tachykinins and/or by selective inhibition of serotonin reuptake transporter protein.

  化合物的公式（I），其中R是从以下选择的基团：其中R7是卤素，氰基，C1-4烷基，C1-4烷氧基，三氟甲基或三氟甲氧基；p是从0到3的整数；R1是氢，卤素，氰基，C2-4烯基，C1-4烷基（可以被卤素，氰基或C1-4烷氧基取代）；R2是氢或C1-4烷基；R3和R4独立地是氢，C1-4烷基或R3与R4一起是C3-7环烷基；R5是苯基，它被1到3个独立选择的基团取代，这些基团是三氟甲基，C1-4烷基，氰基，C1-4烷氧基，三氟甲氧基，卤素或（SO）rC1-4烷基，萘基，它被1到3个独立选择的基团取代，这些基团是三氟甲基，C1-4烷基，氰基，C1-4烷氧基，三氟甲氧基，卤素或（SO）rC1-4烷基，或R5是5或6成员的杂芳基，它被1到3个独立选择的基团取代，这些基团是三氟甲基，C1-4烷基，氰基，C1-4烷氧基，三氟甲氧基，卤素或（SO）rC1-4烷基；R6是氢或（CH2）qR8；R8是氢，C3-7环烷基，C1-4烷氧基，胺，C1-4烷基胺，（C1-4烷基）2胺，OC（O）NR9R10或C（O）NR9R10；R9和R10独立地是氢，C1-4烷基或C3-7环烷基；m为零或1；n为1或2；q是从1到4的整数；r为1或2；或其药学上可接受的盐和溶剂；它们的制备过程，包含它们的制药组合物以及它们在治疗通过调节Tachykinins和/或通过选择性抑制血清素再摄取转运蛋白介导的疾病中的应用。