1,4,6,7-tetrahydro-1-methyl-5H-indazol-5-one | 115215-92-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,4,6,7-tetrahydro-1-methyl-5H-indazol-5-one
• 英文别名: 1-methyl-1,4,6,7-tetrahydro-5H-indazol-5-one；1-methyl-6,7-dihydro-1H-indazol-5(4H)-one；1-methyl-6,7-dihydro-4H-indazol-5-one
• CAS: 115215-92-4
• 化学式: C₈H₁₀N₂O
• 分子量: 150.18
• InChiKey: MROQHXYFRGTYHP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  34.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,4,6,7-tetrahydro-1-methyl-5H-indazol-5-one 、 N,N-二甲基甲酰胺二甲基缩醛 生成 4-(dimethylaminomethylene)-1,4,6,7-tetrahydro-1-methyl-5H-indazol-5-one
  参考文献：
  名称：

  TOURNEAU, MICHAEL E.;PEET, NORTON P.

  摘要：

  DOI：
• 作为产物：
  描述：

  4,4-(Ethylenedioxy)-2-(hydroxymethylene)cyclohexan-1-one 在 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 3.5h， 生成 1,4,6,7-tetrahydro-1-methyl-5H-indazol-5-one
  参考文献：
  名称：

  Peet, Norton P.; LeTourneau, Michael E., Heterocycles, 1991, vol. 32, # 1, p. 41 - 72

  摘要：

  DOI：

文献信息

• SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME
  申请人：BlinkBio, Inc.

  公开号：US20170202970A1

  公开（公告）日：2017-07-20

  Described herein are silicon based conjugates capable of delivering one or more payload moieties to a target cell or tissue. Contemplated conjugates may include a silicon-heteroatom core, one or more optional catalytic moieties, a targeting moiety that permits accumulation of the conjugate within a target cell or tissue, one or more payload moieties (e.g., a therapeutic agent or imaging agent), and two or more non-interfering moieties covalently bound to the silicon-heteroatom core.

  本文描述了基于硅的共轭物，能够将一个或多个有效载荷基团传递到靶细胞或组织。考虑到的共轭物可能包括一个硅-杂原子核心，一个或多个可选的催化基团，一个定位基团，允许共轭物在靶细胞或组织内积累，一个或多个有效载荷基团（例如，治疗剂或成像剂），以及与硅-杂原子核心共价结合的两个或更多个不干扰基团。
• Cycloalkane[1,2-c:4,3-c']dipyrazoles and their use as bronchodilators
  申请人：Merrell Dow Pharmaceuticals Inc.

  公开号：US04734429A1

  公开（公告）日：1988-03-29

  The present invention is directed to a group of methylated tetrahydro cyclohepta[1,2-c:4,3-c']dipyrazoles and benzo[1,2-c:4,3-c']dipyrazoles useful as bronchodilators. The compounds are prepared by the reaction of an appropriate hydrazine with an appropriate 1,3-diketone or with a compound that is chemically equivalent to a 1,3-diketone.

  本发明涉及一组甲基化的四氢环庚[1,2-c:4,3-c']二吡唑和苯并[1,2-c:4,3-c']二吡唑，作为支气管扩张剂有用。这些化合物是通过将适当的肼与适当的1,3-二酮或与化学上等效于1,3-二酮的化合物反应制备的。
• Cycloalkane [1,2-c:4,3-c'] dipyrazoles
  申请人：MERRELL DOW PHARMACEUTICALS INC.

  公开号：EP0276834A1

  公开（公告）日：1988-08-03

  The present invention is directed to a group of meth­ylated tetrahydro cyclohepta[1,2-c:4,3-cʹ]dipyrazoles and benzo[1,2-c:4,3-cʹ]dipyrazoles useful as bronchodilators. The compounds are prepared by the reaction of an appro­priate hydrazine with an appropriate 1,3-diketone or with a compound that is chemically equivalent to a 1,3-diketone.

  本发明涉及一组可用作支气管扩张剂的甲基化四氢环庚烷[1,2-c:4,3-cʹ]二吡唑和苯并[1,2-c:4,3-cʹ]二吡唑。这些化合物是由适当的肼与适当的 1,3-二酮或与 1,3-二酮化学等价的化合物反应制备的。
• Structure determination of<i>N</i>-methyl-tetrahydro-5<i>H</i>-indazol-5-ones
  作者：Kurt A. Josef、Reddeppareddy Dandu、Ming Tao、Robert L. Hudkins

  DOI：10.1002/jhet.5570430328

  日期：2006.5

  Abstractmagnified imageThis paper communicates the (regio) synthesis and a convenient NMR structural assignment method for N‐methyl‐tetrahydro‐5H‐indazol‐5‐one isomers. The cyclization reaction of 7‐(hydroxymethylene)‐1,4‐dioxaspiro[4,5]decan‐8‐one (3) with methylhydrazine yields, after de‐protection predominately the N‐2 methyl isomer 2. Analysis of the product ratio and structural assignments are based on NMR data including NOE difference experiments and subsequently confirmed with X‐ray crystallography. These findings are in sharp contrast with the literature. The experimental conditions used to optimize the synthesis of the individual isomers are discussed.
• TOURNEAU, MICHAEL E.;PEET, NORTON P.
  作者：TOURNEAU, MICHAEL E.、PEET, NORTON P.

  DOI：——

  日期：——