1-(3-氨基-丙基)-哌啶-2-酮 | 53653-65-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 1-(3-氨基-丙基)-哌啶-2-酮
• 英文名称: 1-(3-aminopropyl)piperidin-2-one
• CAS: 53653-65-9
• 化学式: C₈H₁₆N₂O
• 分子量: 156.228
• InChiKey: YAGYGLVHFZFVTL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  46.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(3-氨基-丙基)-哌啶-2-酮 在 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 异丙醇 为溶剂， 反应 19.17h， 生成 1-[3-[[2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]piperidin-2-one
  参考文献：
  名称：

  [EN] 2,4-DIAMINOPYRIMIDINE DERIVATIVES AS ULK1/2 INHIBITORS AND THEIR USE THEREOF
  [FR] INHIBITEURS ULK1/2 ET LEUR UTILISATION

  摘要：

  公开号：

  WO2022214869A3
• 作为产物：
  描述：

  3-(but-3-en-1-ylamino)propanenitrile 在 dirhodium tetraacetate 、 lithium aluminium tetrahydride 、 氢气 、 三苯基膦 作用下， 以 苯 为溶剂， 80.0 ℃ 、2.76 MPa 条件下， 反应 20.0h， 生成 1-(3-氨基-丙基)-哌啶-2-酮
  参考文献：
  名称：

  Rhodium-catalysed hydroformylation and carbonylation of N-alkenyl-1,3-diaminopropanes

  摘要：

  The rhodium catalysed reactions of N-alkenyl-1,3-diaminopropanes with H-2/CO usually give mixtures of diazabicycloalkanes and aminopropyl lactams. The chemo-and regioselectivity of these reactions are influenced by the choice of ligand and by the ratio of H-2 and CO in the gas mixture and in some cases formation of a single compound can be achieved. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)10193-4

文献信息

• Control of chemo- and regio-selectivity in rhodium catalysed reactions of unsaturated amines with
  作者：David J. Bergmann、Eva M. Campi、W.Roy Jackson、Quentin J. McCubbin、Antonio F. Patti

  DOI：10.1016/s0040-4039(97)00889-7

  日期：1997.6

  The rhodium catalysed reactions of N-allyl- and N-butenyl-1,3-diaminopropanes give single products arising from exclusive hydroformylation at the terminal carbon when the hindered bisphosphite ligand, BIPHEPHOS is used. Reactions using a high carbon monoxide: hydrogen ratio (9:1) and triphenylphosphine as ligand give predominantly lactams arising from carbonylation but with poor control of regioselectivity

  当使用受阻的双亚磷酸酯配体BIPHEPHOS时，N-烯丙基和N-丁烯基-1,3-二氨基丙烷的铑催化反应产生的单一产物是由末端碳的独家加氢甲酰化产生的。使用高一氧化碳：氢比率（9：1）和三苯膦作为配体的反应主要产生内酰胺，这些内酰胺是由羰基化产生的，但对区域选择性的控制较差。
• Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them
  申请人：Himmelsbach Frank

  公开号：US20050182043A1

  公开（公告）日：2005-08-18

  The present invention relates methods for treating disease conditions selected from the list consisting of benign or malignant tumors, diseases of the airways and lungs, diseases of the gastrointestinal tract, the bile duct and the gall bladder by administration to a patient in need thereof of a therapeutically effective amount of a bicyclic heterocyclic groups of general formula wherein said substituents are as defined herein.

  本发明涉及一种治疗疾病的方法，所述疾病包括良性或恶性肿瘤、呼吸道和肺部疾病、胆道和胆囊疾病以及胃肠道疾病，通过向需要治疗的患者施用以下一般式的双环杂环基的治疗有效量：其中所述取代基如定义所述。
• Compound
  申请人：Mciver Edward Giles

  公开号：US20100056524A1

  公开（公告）日：2010-03-04

  A first aspect of the invention relates to a compound of formula (I), or a pharmaceutically acceptable salt or ester thereof, wherein: R 1 is C 3-8 -cycloalkyl; X is O, NR 7 or C 3-6 -heterocycloalkyl; R 2 is aryl, heteroaryl, fused or unfused aryl-C 3-6 -heterocycloalkyl or fused or unfused heteroaryl-C 3-6 -heterocycloalkyl, each of which is optionally substituted by one or more substitutents selected from aryl, heteroaryl, C 1-6 -alkyl, C 3-7 -cycloalkyl and a group A, wherein said C 1-6 -alkyl group is optionally substituted by one or more substituents selected from aryl, heteroaryl, R 10 and a group A, said heteroaryl group is optionally substituted by one or more R 10 groups; and wherein said C 3-6 -heterocycloalkyl group optionally contains one or more groups selected from oxygen, sulfur, nitrogen and CO; R 3 is C 1-6 -alkyl optionally substituted by one or more substituents selected from aryl, heteroaryl, —NR 4 R 5 , —OR 6 , —NR 7 (CO)R 6 , —NR 7 (CO)NR 4 R 5 , —NR 7 SO 2 R 6 , —NR 7 COOR 7 , —CONR 4 R 5 , C 3-6 -heterocycloalkyl and wherein R 4-7 and A are as defined in the claims. Further aspects relate to the use of said compounds in the treatment of various therapeutic disorders, and more particularly as inhibitors of one or more kinases.

  本发明的第一方面涉及化合物(I)的公式，或其药学上可接受的盐或酯，其中： R1是C3-8环烷基；X是O，NR7或C3-6杂环烷基；R2是芳基、杂芳基、融合或未融合的芳基-C3-6杂环烷基或融合或未融合的杂芳基-C3-6杂环烷基，其中每个基团可选地由一个或多个取代基选自芳基、杂芳基、C1-6烷基、C3-7环烷基和A组成，其中所述的C1-6烷基可选地由一个或多个取代基选自芳基、杂芳基、R10和A组成，所述的杂芳基可选地由一个或多个R10基团取代；其中所述的C3-6杂环烷基可选地包含一个或多个选自氧、硫、氮和CO的基团；R3是C1-6烷基，可选地被一个或多个取代基选自芳基、杂芳基、-NR4R5、-OR6、-NR7(CO)R6、-NR7(CO)NR4R5、-NR7SO2R6、-NR7COOR7、-CONR4R5、C3-6杂环烷基和其中R4-7和A如权利要求所定义。 进一步的方面涉及所述化合物在治疗各种治疗性疾病中的应用，特别是作为一个或多个激酶的抑制剂。
• BICYCLIC HETEROCYCLIC COMPOUNDS PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR PREPARING THE SAME
  申请人：HIMMELSBACH Frank

  公开号：US20110077246A1

  公开（公告）日：2011-03-31

  The present invention relates methods for treating disease conditions selected from the list consisting of benign or malignant tumors, diseases of the airways and lungs, diseases of the gastrointestinal tract, the bile duct and the gall bladder by administration to a patient in need thereof of a therapeutically effective amount of a bicyclic heterocyclic groups of general formula wherein said substituents are as defined herein.

  本发明涉及治疗疾病的方法，所述疾病包括良性或恶性肿瘤、呼吸道和肺部疾病、胃肠道疾病、胆管和胆囊疾病，通过向需要治疗的患者施用下列一般式的双环杂环基的治疗有效量：其中所述取代基如本文所定义。
• Indole Resin:  A Versatile New Support for the Solid-Phase Synthesis of Organic Molecules
  作者：Kimberly G. Estep、Christopher E. Neipp、Linda M. Stephens Stramiello、Mavis D. Adam、Martin P. Allen、Shaughnessy Robinson、Eric J. Roskamp

  DOI：10.1021/jo9806052

  日期：1998.8.1