(1E)-N-羟基-1-(2-嘧啶基)乙烷亚胺 | 346610-08-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: (1E)-N-羟基-1-(2-嘧啶基)乙烷亚胺
• 英文名称: 1-(pyrimidin-2-yl)ethanone oxime
• 英文别名: N-(1-pyrimidin-2-ylethylidene)hydroxylamine
• CAS: 346610-08-0
• 化学式: C₆H₇N₃O
• 分子量: 137.141
• InChiKey: XJYKGFXWZAXNBO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  58.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (1E)-N-羟基-1-(2-嘧啶基)乙烷亚胺 在 正丁基锂 、 氯化亚砜 、 zinc diacetate 、 三乙胺 、 二异丙胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 2-甲基四氢呋喃 、 异丙醇 为溶剂， 反应 42.0h， 生成 S-4-chloro-6-methoxy-2-{2-[3-(pyrimidin-2-yl)isoxazol-5-yl]pyrrolidin-1-yl}pyrimidine
  参考文献：
  名称：

  WO2008/117051

  摘要：

  公开号：
• 作为产物：
  描述：

  2-乙酰基嘧啶 在 盐酸羟胺 、 三乙胺 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以71.2%的产率得到(1E)-N-羟基-1-(2-嘧啶基)乙烷亚胺
  参考文献：
  名称：

  WO2008/117051

  摘要：

  公开号：

文献信息

• Large conductance calcium-activated k channel opener
  申请人：——

  公开号：US20040127527A1

  公开（公告）日：2004-07-01

  A large conductance calcium-activated K channel opener comprising as an active ingredient a nitrogen-containing 5-membered heterocyclic compound represented by the following formula (I): 1 wherein X represents N—R 4 , O or S, R 1 and R 2 each independently represent hydrogen, halogen, carboxyl, amino, lower alkyl, lower alkoxycarbonyl, lower alkenyl, cyclo-lower alkyl, carbamoyl, aryl, heterocyclic or heterocyclic-substituted carbonyl group, R 3 represents aryl, heterocyclic or lower alkyl group, and R 4 represents hydrogen or lower alkyl group, or a pharmaceutically acceptable salt thereof.

  一种大导电性钙激活的K通道开放剂，包括以下式子（I）所表示的含氮5元杂环化合物作为活性成分：1其中，X代表N-R4，O或S，R1和R2各自独立地代表氢、卤素、羧基、氨基、低级烷基、低级烷氧羰基、低级烯基、环状低级烷基、氨基甲酰基、芳香族、杂环或杂环取代的羰基基团，R3代表芳香族、杂环或低级烷基基团，R4代表氢或低级烷基基团，或其药学上可接受的盐。
• NOVEL COMPOUNDS 747
  申请人：Nowak Thorsten

  公开号：US20080269266A1

  公开（公告）日：2008-10-30

  There is provided novel pyrimidine derivatives of formula (I) or pharmaceutically acceptable salts thereof, processes for their preparation, pharmaceutical compositions containing them and their use in therapy.

  提供了式(I)的新型嘧啶衍生物或其药学上可接受的盐，其制备过程，含有它们的制剂以及它们在治疗中的应用。
• Large conductance calcium-activated K channel opener
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：US07759373B2

  公开（公告）日：2010-07-20

  A large conductance calcium-activated K channel opener comprising as an active ingredient a nitrogen-containing 5-membered heterocyclic compound represented by the following formula (I): wherein X represents N—R4, O or S, R1 and R2 each independently represent hydrogen, halogen, carboxyl, amino, lower alkyl, lower alkoxycarbonyl, lower alkenyl, cyclo-lower alkyl, carbamoyl, aryl, heterocyclic or heterocyclic-substituted carbonyl group, R3 represents aryl, heterocyclic or lower alkyl group, and R4 represents hydrogen or lower alkyl group, or a pharmaceutically acceptable salt thereof.

  一种大导电性钙激活的K通道开放剂，其作为活性成分包含以下式子（I）所代表的含氮5元杂环化合物，其中X代表N—R4、O或S，R1和R2各自独立地代表氢、卤素、羧基、氨基、较低的烷基、较低的烷氧基羰基、较低的烯基、环-较低的烷基、氨基甲酰基、芳香族、杂环或杂环取代的羰基基团，R3代表芳香族、杂环或较低的烷基基团，而R4代表氢或较低的烷基基团，或其药学上可接受的盐。
• LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER
  申请人：Hongu Mitsuya

  公开号：US20100256165A1

  公开（公告）日：2010-10-07

  A large conductance calcium-activated K channel opener comprising as an active ingredient a nitrogen-containing 5-membered heterocyclic compound represented by the following formula (I): wherein X represents N—R 4 , O or S, R 1 and R 2 each independently represent hydrogen, halogen, carboxyl, amino, lower alkyl, lower alkoxycarbonyl, lower alkenyl, cyclo-lower alkyl, carbamoyl, aryl, heterocyclic or heterocyclic-substituted carbonyl group, R 3 represents aryl, heterocyclic or lower alkyl group, and R 4 represents hydrogen or lower alkyl group, or a pharmaceutically acceptable salt thereof.

  一种大导电性钙激活的K通道开放剂，其作为活性成分是一种含氮的5元杂环化合物，表示为以下式子（I）：其中X代表N—R4，O或S，R1和R2各自独立地表示氢、卤素、羧基、氨基、低碳基、低碳氧基羰基、低烯基、环-低碳基、氨基甲酰基、芳基、杂环或杂环取代的羰基基团，R3表示芳基、杂环或低碳基团，R4表示氢或低碳基团，或其药学上可接受的盐。
• Development of an Efficient, Scalable Route for the Preparation of a Novel Insulin-Like Growth Factor-1 Receptor Modulator
  作者：CH Vinod Kumar、Santosh Kavitake、Sythana Suresh Kumar、Philip Cornwall、Mithun Ashok、Sagar Bhagat、Sulur G. Manjunatha、Sudhir Nambiar

  DOI：10.1021/op300120r

  日期：2012.8.17

  A chromatography-free and efficient synthesis of insulin-like growth factor-1 receptor (IGF-1R) modulator is reported. Herein we describe an improved synthesis for the target compound, which features facile introduction of a novel pyrrolidinyl-pyrimidyl isoxazole 8, via in situ sulfone displacement by fluorine. The overall process consists of six chemical steps and five isolations, with introduction of the expensive triheterocyclic unit 8 towards the end of the synthesis.