4-(4-formylpiperazin-1-yl)benzonitrile | 1260776-90-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 4-(4-formylpiperazin-1-yl)benzonitrile
• CAS: 1260776-90-6
• 化学式: C₁₂H₁₃N₃O
• 分子量: 215.255
• InChiKey: VUZCYJKGWYMZRC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  47.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  对氟苯腈 以 四氢呋喃 、 甲苯 为溶剂， 反应 14.0h， 生成 4-(4-formylpiperazin-1-yl)benzonitrile
  参考文献：
  名称：

  使用二氨基甲酰锌制备官能化酰胺

  摘要：

  (R 1 R 2 NCO) 2 Zn 型多官能二氨基甲酰锌在 THF 中通过用 LiTMP 处理甲酰胺和 ZnCl 2的混合物（THF，15 °C，15 分钟）或通过甲酰胺与 TMP 2 Zn 反应（THF，25 °C，16 小时）。这些锌试剂与烯丙基、苄基、芳基和烯基溴、酰基氯、醛或烯酮反应，生成各种酰胺，产率为 47-97%。 13 C NMR 数据显示(Bu 2 NCO) 2 Zn 在219.4 ppm 处有特征羰基信号。

  DOI：

  10.1002/anie.202205440

文献信息

• Substituted indole ligands for the ORL-1 receptor
  申请人：Ronzoni Silvano

  公开号：US20090275555A1

  公开（公告）日：2009-11-05

  New ligands for the ORL-1 receptor are described, useful for antagonising the activity of said receptors in a patient in need thereof, and for preventing and treating illnesses dependent on the activation of this receptor. The new compounds conform to structural formula (I) wherein R1, R2, R3, R4 are further defined in the description.

  本文描述了ORL-1受体的新配体，可用于拮抗需要该受体活性的患者，并用于预防和治疗依赖于该受体激活的疾病。新化合物符合结构式（I），其中R1，R2，R3，R4在描述中进一步定义。
• THIENOPYRIMIDINES
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20150133425A1

  公开（公告）日：2015-05-14

  The present invention relates to substituted thienopyrimidine compounds of general formula (I) as described and defined herein, to methods of preparing said compounds, to intermediate compounds useful for preparing said compounds, to pharmaceutical compositions and combinations comprising said compounds and to the use of said compounds for manufacturing a pharmaceutical composition for the treatment or prophylaxis of a disease, in particular of a hyper-proliferative and/or angiogenesis disorder, as a sole agent or in combination with other active ingredients.

  本发明涉及一般式（I）所描述和定义的取代噻唑嘧啶化合物，以及制备该化合物的方法，用于制备该化合物的中间体化合物，包含该化合物的制药组合物和药物组合物，以及使用该化合物制造用于治疗或预防疾病的制药组合物，特别是用作唯一药剂或与其他活性成分组合使用，治疗或预防过度增殖和/或血管生成障碍的疾病。
• Complementation of Biotransformations with Chemical C–H Oxidation: Copper-Catalyzed Oxidation of Tertiary Amines in Complex Pharmaceuticals
  作者：Julien Genovino、Stephan Lütz、Dalibor Sames、B. Barry Touré

  DOI：10.1021/ja405471h

  日期：2013.8.21

  The isolation, quantitation, and characterization of drug metabolites in biological fluids remain challenging. Rapid access to oxidized drugs could facilitate metabolite identification and enable early pharmacology and toxicity studies. Herein, we compared biotransformations to classical and new chemical C-H oxidation methods using oxcarbazepine, naproxen, and an early compound hit (phthalazine 1). These studies illustrated the low preparative efficacy of biotransformations and the inability of chemical methods to oxidize complex pharmaceuticals. We also disclose an aerobic catalytic protocole (CuI/air) to oxidize tertiary amines and benzylic CH's in drugs. The reaction tolerates a broad range of functionalities and displays a high level of chemoselectivity, which is not generally explained by the strength of the C-H bonds but by the individual structural chemotype. This study represents a first step toward establishing a chemical toolkit (chemotransformations) that can selectively oxidize C-H bonds in complex pharmaceuticals and rapidly deliver drug metabolites.
• US9540392B2
  申请人：——

  公开号：US9540392B2

  公开（公告）日：2017-01-10
• Preparation of Functionalized Amides Using Dicarbamoylzincs
  作者：Dimitrije Djukanovic、Maximilian A. Ganiek、Kohei Nishi、Konstantin Karaghiosoff、Kazushi Mashima、Paul Knochel

  DOI：10.1002/anie.202205440

  日期：2022.8

  15 min) or by reacting formamides with TMP2Zn (THF, 25 °C, 16 h). These zinc reagents reacted with allylic, benzylic, aryl and alkenyl bromides, acid chlorides, aldehydes or enones providing various amides in 47–97 % yields. 13C NMR data showed a characteristic carbonyl signal at 219.4 ppm for (Bu2NCO)2Zn.

  (R 1 R 2 NCO) 2 Zn 型多官能二氨基甲酰锌在 THF 中通过用 LiTMP 处理甲酰胺和 ZnCl 2的混合物（THF，15 °C，15 分钟）或通过甲酰胺与 TMP 2 Zn 反应（THF，25 °C，16 小时）。这些锌试剂与烯丙基、苄基、芳基和烯基溴、酰基氯、醛或烯酮反应，生成各种酰胺，产率为 47-97%。 13 C NMR 数据显示(Bu 2 NCO) 2 Zn 在219.4 ppm 处有特征羰基信号。