7-hydroxy azepan-2-one | 1314908-68-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: 7-hydroxy azepan-2-one
• 英文别名: 7-Hydroxyazepan-2-one
• CAS: 1314908-68-3
• 化学式: C₆H₁₁NO₂
• 分子量: 129.159
• InChiKey: ZAAVSEMUCGWMIG-UHFFFAOYSA-N

物化性质

• 沸点：
  351.8±35.0 °C(Predicted)
• 密度：
  1.135±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  7-hydroxy azepan-2-one 在 对甲苯磺酸 作用下， 生成 1,3,4,5-tetrahydro-azepin-2-one
  参考文献：
  名称：

  Unsaturated Lactams: New Inputs for Povarov-Type Multicomponent Reactions

  摘要：

  Unsaturated lactams with endo- or exocyclic C-C double bonds constitute a set of reactive inputs that serve as the electron-rich olefin component in Povarov reactions. These substrates afford the multicomponent adducts in convenient yields and offer a wide range of structural diversity. Postcondensation transformations allow direct access to a variety of lactam-fused and amide-substituted quinoline derivatives.

  DOI：

  10.1021/ol902913j
• 作为产物：
  描述：

  己二酰亚胺 在 sodium tetrahydroborate 作用下， 生成 7-hydroxy azepan-2-one
  参考文献：
  名称：

  Unsaturated Lactams: New Inputs for Povarov-Type Multicomponent Reactions

  摘要：

  Unsaturated lactams with endo- or exocyclic C-C double bonds constitute a set of reactive inputs that serve as the electron-rich olefin component in Povarov reactions. These substrates afford the multicomponent adducts in convenient yields and offer a wide range of structural diversity. Postcondensation transformations allow direct access to a variety of lactam-fused and amide-substituted quinoline derivatives.

  DOI：

  10.1021/ol902913j

文献信息

• [EN] CERTAIN SUBSTITUTED CAPROLACTAMS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN TREATING TUMORS<br/>[FR] CAPROLACTAMES SUBSTITUES, COMPOSITIONS PHARMACEUTIQUES CONTENANT CES COMPOSES ET LEUR UTILISATION DANS LE TRAITEMENT DES TUMEURS
  申请人：NOVARTIS AG

  公开号：WO2000029382A1

  公开（公告）日：2000-05-25

  The present invention relates to certain substituted caprolactam compounds of formula (I), where R1 is (C1-6)alkyl or (C3-6)cycloalkyl; R2 is hydrogen or (C1-6)alkyl; X is (C1-12)alkylene; (C2-12)alkenylene; or (C2-12)alkynylene; m is 0 or 1; and R3 is (C3-8)cycloalkyl; or an aromatic ring system selected from (II, III, IV and V), where R4 is hydrogen, chloro, or methoxy; R5 is hydrogen, chloro, (C1-18)alkyl or (C1-18)alkoxy, and Z is oxygen, sulfur, N-H, or N-CH3; or a pharmaceutically acceptable acid addition salt thereof, where possible, pharmaceutical compositions containing said compounds, the use of said compounds in treating tumors and to a process for making said compounds.

  本发明涉及一些式(I)的取代己内酰胺化合物，其中R1是(C1-6)烷基或(C3-6)环烷基；R2是氢或(C1-6)烷基；X是(C1-12)烷基；(C2-12)烯基；或(C2-12)炔基；m为0或1；而R3是(C3-8)环烷基；或从(II，III，IV和V)中选择的芳香环系统，其中R4是氢，氯或甲氧基；R5是氢，氯，(C1-18)烷基或(C1-18)烷氧基，而Z是氧，硫，N-H或N-CH3；或其药学上可接受的酸盐。可能含有该化合物的药物组合物，使用该化合物治疗肿瘤的方法以及制备该化合物的方法。
• Use of certain substituted caprolactams in treating tumors
  申请人：——

  公开号：US20010044433A1

  公开（公告）日：2001-11-22

  The present invention relates to certain substituted caprolactam compounds, pharmaceutical compositions containing said compounds, the use of said compounds in treating tumors and to a process for making said compounds.

  本发明涉及某些取代的己内酰胺化合物、含有该化合物的药物组合物、使用该化合物治疗肿瘤的方法以及制备该化合物的过程。
• Certain substituted caprolactam carbonates and ethers, pharmaceutical compositions containing them and their use in treating tumors
  申请人：——

  公开号：US20030055041A1

  公开（公告）日：2003-03-20

  The present invention relates to certain substituted caprolactam carbonate and ether compounds, pharmaceutical compositions containing said compounds, the use of said compounds in treating tumors and to a process for making said compounds.

  本发明涉及某些取代的己内酰胺碳酸酯和醚化合物、含有该化合物的药物组合物、该化合物在治疗肿瘤中的应用以及制备该化合物的过程。
• CERTAIN SUBSTITUTED CAPROLACTAMS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN TREATING TUMORS
  申请人：Novartis AG

  公开号：EP1131297B1

  公开（公告）日：2004-04-14
• SUBSTITUTED CAPROLACTAM CARBONATES AND ETHERS AND THEIR USE AS ANTI-TUMOR AGENTS
  申请人：Novartis AG

  公开号：EP1282604A1

  公开（公告）日：2003-02-12