1-(2-pyrimidinyl)-3,3-dimethyl-2-butanone | 75782-23-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 1-(2-pyrimidinyl)-3,3-dimethyl-2-butanone
• 英文别名: 3,3-Dimethyl-1-(2-pyrimidinyl)-2-butanone；3,3-dimethyl-1-pyrimidin-2-ylbutan-2-one
• CAS: 75782-23-9
• 化学式: C₁₀H₁₄N₂O
• 分子量: 178.234
• InChiKey: KIJVNSAIBASLAQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  42.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-氯嘧啶 、 potassium pinacolone enolate 以32%的产率得到
  参考文献：
  名称：

  CARVER D. R.; KOMIN A. P.; HUBBARD J. S.; WOLFE J. F., J. ORG. CHEM., 1981, 46, NO 2, 294-299

  摘要：

  DOI：

文献信息

• NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS
  申请人：BUTLER TODD W.

  公开号：US20120157440A1

  公开（公告）日：2012-06-21

  Compounds and pharmaceutically acceptable salts of the compounds are disclosed, wherein the compounds have the structure of Formula I: and pharmaceutically acceptable salts thereof, wherein X, Y, A, R 4 , n, and R 7 are as defined in the specification. Corresponding pharmaceutical compositions, methods of treatment, methods of synthesis, and intermediates are also disclosed.

  本发明揭示了化合物及其药用可接受的盐，其中该化合物具有Formula I的结构：以及其药用可接受的盐，其中X、Y、A、R4、n和R7如规范中定义。本发明还揭示了相应的药物组合物、治疗方法、合成方法和中间体。
• SRN1 mechanism in heteroaromatic nucleophilic substitution. Reactions involving halogenated pyrimidines, pyridazines, and pyrazines
  作者：David R. Carver、Andrew P. Komin、James S. Hubbard、James F. Wolfe

  DOI：10.1021/jo00315a013

  日期：1981.1
• FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS
  申请人：Gilead Sciences, Inc.

  公开号：US20160362421A1

  公开（公告）日：2016-12-15

  The present disclosure relates to compounds that are sodium channel inhibitors and to their use in the treatment of various disease states, including cardiovascular diseases and diabetes. In particular embodiments, the structure of the compounds is given by Formula I: wherein Q, R 1 , X 1 , X 2 , Y and R 2 are as described herein, to methods for the preparation and use of the compounds and to pharmaceutical compositions containing the same.
• US8536164B2
  申请人：——

  公开号：US8536164B2

  公开（公告）日：2013-09-17
• US9682998B2
  申请人：——

  公开号：US9682998B2

  公开（公告）日：2017-06-20