2-甲基-1-苯基-2-(3-吡啶基)-1-丙酮 | 87372-75-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-甲基-1-苯基-2-(3-吡啶基)-1-丙酮
• 英文名称: 2-methyl-1-phenyl-2-(pyridin-3-yl)-1-propanone
• 英文别名: 2-methyl-1-phenyl-2-(pyridin-3-yl)propan-1-one；2-Methyl-1-phenyl-2-(3-pyridinyl)-1-propanone；2-methyl-1-phenyl-2-pyridin-3-ylpropan-1-one
• CAS: 87372-75-6
• 化学式: C₁₅H₁₅NO
• 分子量: 225.29
• InChiKey: GWWVZTFGCNLAOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  30
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  2-甲基-1-苯基-2-(3-吡啶基)-1-丙酮 、 硫酸 以52%的产率得到
  参考文献：
  名称：

  HAYS, S. J.;MANGNER, T. J., J. LABELLED COMPOUNDS AND RADIOPHARM., 1983, 20, N 12, 1373-1381

  摘要：

  DOI：

文献信息

• Regio- and Enantioselective C–H Cyclization of Pyridines with Alkenes Enabled by a Nickel/N-Heterocyclic Carbene Catalysis
  作者：Wu-Bin Zhang、Xin-Tuo Yang、Jun-Bao Ma、Zhi-Ming Su、Shi-Liang Shi

  DOI：10.1021/jacs.9b00931

  日期：2019.4.10

  pyridines are ubiquitous scaffolds in many bioactive molecules. A highly regio- and enantioselective Ni(0)-catalyzed endo-selective C-H cyclization of pyridines with alkenes has been developed. An unprecedented enantioselective C-H activation at pyridyl 3- or 4-positions was enabled by bulky chiral N-heterocyclic carbene ligands. This protocol provides expedient access to a series of optically active

  环状吡啶是许多生物活性分子中普遍存在的支架。已开发出高度区域选择性和对映选择性 Ni(0) 催化的吡啶与烯烃的内选择性 CH 环化。庞大的手性 N-杂环卡宾配体实现了吡啶基 3 位或 4 位前所未有的对映选择性 CH 活化。该协议提供了对一系列光学活性 5,6,7,8-四氢喹啉和 5,6,7,8-四氢异喹啉的便利访问，这些化合物否则难以获得，中高产率（产率高达 99%）和对映选择性（高达 99% ee）。据我们所知，这是吡啶对映选择性 CH 环化成手性环化产物的第一个例子。
• PROCESS FOR PREPARING KETONES FROM ALPHA-OXO CARBOXYLATES AND ARYL BROMIDES
  申请人：Cotte Alain

  公开号：US20090221832A1

  公开（公告）日：2009-09-03

  A process for preparing ketones of the general formula (III) where R is an optionally substituted carbocyclic aromatic radical having 6 to 24 carbon atoms or an optionally substituted alkyl radical or an optionally substituted heteroaromatic radical having 5 to 24 carbon atoms, and R 1 is an optionally substituted carbocyclic aromatic radical having 6 to 24 carbon atoms or an optionally substituted heteroaromatic radical having 5 to 24 carbon atoms, by reacting alpha-oxo carboxylates of the general formula (I) wherein n and m is a number in the range from 1 to 6, M (m+) is a cation, and R has the meaning indicated for formula (III), with aryl bromides of the general formula (II) R 1 —Br   (II) where R 1 has the meaning indicated for formula (III), in the presence of two transition metals or compounds thereof as catalyst, is described.

  一种制备一般式（III）的酮的方法，其中R是具有6到24个碳原子的可选取代的碳环芳基基团或具有5到24个碳原子的可选取代的烷基基团或具有5到24个碳原子的可选取代的杂环芳基基团，而R1是具有6到24个碳原子的可选取代的碳环芳基基团或具有5到24个碳原子的可选取代的杂环芳基基团，通过将一般式（I）的α-羰基羧酸酯与芳基溴化物（II）在两种过渡金属或其化合物存在下作为催化剂进行反应得到。
• COMBINATION THERAPY FOR TREATING DISORDERS ASSOCIATED WITH EXCESS CORTISOL PRODUCTION
  申请人：Millendo Therapeutics, Inc.

  公开号：US20160287565A1

  公开（公告）日：2016-10-06

  Methods are provided for treatment of disorders associated with excess cortisol production, including, but not limited to, treatment of Cushing's syndrome. Such methods involve administration of a therapeutically effective amount of a combination of: (a) an inhibitor of CYP11B1; and (b) ACAT1 inhibitor N-(2,6-bis(1-methylethyl)phenyl)-N′-((1-(4-(dimethyl-lamino)phenyl)cyclopentyl)-methyl)urea or a salt thereof; or (a) an inhibitor of CYP11B1; (b) an inhibitor of CYP11B2; and (c) ACAT1 inhibitor N-(2,6-bis(1-methylethyl)phenyl)-N′-((1-(4-(dimethyl-lamino)phenyl)cyclopentyl)-methyl)urea or a salt thereof.
• US8022255B2
  申请人：——

  公开号：US8022255B2

  公开（公告）日：2011-09-20