乙基1-苯基肼羧酸酯 | 92222-40-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 乙基1-苯基肼羧酸酯
• 英文名称: N-(carboethoxy)-N-phenylhydrazine
• 英文别名: N-phenyl-hydrazinecarboxylic acid ethyl ester；ethyl N-amino-N-phenylcarbamate
• CAS: 92222-40-7
• 化学式: C₉H₁₂N₂O₂
• 分子量: 180.206
• InChiKey: ANYQMRXFJMGDDE-UHFFFAOYSA-N

物化性质

• 沸点：
  274.7±23.0 °C(Predicted)
• 密度：
  1.192±0.06 g/cm3(Predicted)

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：
  0.22
• 拓扑面积：
  55.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  乙基1-苯基肼羧酸酯 在 sodium ethanolate 、 溶剂黄146 作用下， 生成 1-苯基尿唑
  参考文献：
  名称：

  Rupe; Labhardt, Chemische Berichte, 1899, vol. 32, p. 12

  摘要：

  DOI：
• 作为产物：
  描述：

  苯甲醛苯腙 在 盐酸 、 正丁基锂 作用下， 以 四氢呋喃 、 乙醇 、 正己烷 、 水 为溶剂， 反应 0.25h， 生成 乙基1-苯基肼羧酸酯
  参考文献：
  名称：

  用于热反应生成富电子的1,2-二氮杂-1,3-丁二烯的新型杂环前体。

  摘要：

  [反应-见正文] [已更正]描述了1,2-二氮杂-1,3-丁二烯新的稳定杂环前体的制备和热解。生成的反应性二氮杂二烯被N-苯基马来酰亚胺原位捕获[校正]。讨论了前体结构对生成二氮杂二烯的温度的影响。

  DOI：

  10.1021/ol0165645

文献信息

• A general and mild domino approach to substituted 1-aminoindoles
  作者：Nis Halland、Marc Nazaré、Jorge Alonso、Omar R'kyek、Andreas Lindenschmidt

  DOI：10.1039/c0cc03584j

  日期：——

  A versatile and efficient palladium catalyzed domino reaction leading to a broad range of substituted 1-aminoindoles has been developed. The title compounds were prepared from 2-halo-phenylacetylenes and simple hydrazines in good to excellent yields in just a few hours under mild conditions.

  一种多功能且高效的钯催化多米诺反应已经被开发出来，该反应可以生成广泛的取代1-氨基吲哚化合物。这些目标化合物通过在温和条件下，使用2-卤代苯乙炔和简单的肼，在短短几小时内获得良好至优异的产率。
• [EN] GABAa RECEPTOR MODULATORS<br/>[FR] MODULATEURS DES RÉCEPTEURS GABAA
  申请人：FORSKARPATENT I SYD AB

  公开号：WO2009123537A1

  公开（公告）日：2009-10-08

  the resent invention relates to novel compounds of the general formula (I) having anxiolytic, anticonvulsant, sedative-hypnotic and myorelaxant conditions as well as anxiogenic, somnolytic and convulsant conditions in mammals, including humans, as GABAA receptor modulator.

  这项最新的发明涉及具有广谱公式(I)的新化合物，具有镇静、抗惊厥、催眠-催眠和肌肉松弛条件，以及作为GABAA受体调节剂的哺乳动物，包括人类，具有焦虑、催眠和癫痫症状。
• GABAA RECEPTOR MODULATORS
  申请人：Nielsen Mogens

  公开号：US20110092525A1

  公开（公告）日：2011-04-21

  The resent invention relates to novel compounds of the general formula (I) having anxiolytic, anticonvulsant, sedative-hypnotic and myorelaxant conditions as well as anxiogenic, somnolytic and convulsant conditions in mammals, including humans, as GABA A receptor modulator.

  本发明涉及具有广泛公式（I）的新化合物，作为GABAA受体调节剂在哺乳动物，包括人类中具有抗焦虑，抗惊厥，镇静催眠和肌肉松弛条件，以及焦虑，催眠和惊厥条件。
• Transition metal catalyzed synthesis of N-aminoindoles
  申请人：HALLAND Nis

  公开号：US20100168429A1

  公开（公告）日：2010-07-01

  The present invention relates to a process for the regioselective synthesis of compounds of the formula I, wherein R0; R1; R2; R3; R4; R5; R6; A1; A2; A3; A4, Q, T and J have the meanings indicated in the claims. The present invention provides a direct transition metal catalyzed process to a wide variety of multifunctional N-aminoindole or N-amino-azaindoles of the formula I from 2-halo-phenylacetylenes or (2-sulfonato)phenyl-acetylenes and N,N-disubstituted hydrazines, useful for the production of pharmaceuticals, diagnostic agents, liquid crystals, polymers, herbicides, fungicidals, nematicidals, parasiticides, insecticides, acaricides and arthropodicides.

  本发明涉及一种式I化合物的区域选择性合成方法，其中R0、R1、R2、R3、R4、R5、R6、A1、A2、A3、A4、Q、T和J的含义如权利要求中所示。本发明提供了一种直接过渡金属催化的方法，从2-卤代苯基乙炔或（2-磺酸酯）苯基乙炔和N,N-二取代腙制备多功能N-氨基吲哚或N-氨基杂吲哚的式I，用于制备药物、诊断试剂、液晶、聚合物、除草剂、杀菌剂、线虫杀剂、寄生虫杀剂、杀虫剂、螨虫剂和节肢动物剂。
• Triazoloquinazolinediones as novel high affinity ligands for the benzodiazepine site of GABAA receptors
  作者：Jakob Nilsson、Ritha Gidlöf、Elsebet Østergaard Nielsen、Tommy Liljefors、Mogens Nielsen、Olov Sterner

  DOI：10.1016/j.bmc.2010.11.050

  日期：2011.1

  Based on a pharmacophore model of the benzodiazepine-binding site of GABA(A) receptors, a series of 2-aryl-2,6-dihydro[1,2,4]triazolo[4,3-c]quinazoline-3,5-diones (structure type I) were designed, synthesized, and identified as high-affinity ligands of the binding site. For several compounds, K-i values of around 0.20 nM were determined. They show a structural resemblance with the previously described 2-phenyl-2H-pyrazolo[4,3-c]quinolin-3(5H)-ones (II) and 2-phenyl-[1,2,4]triazolo[1,5-a]quinoxalin-4(5H)-one (III). The 9-bromo substituted compounds 8a-d were prepared in an 8-step synthesis in an overall yield of approximately 40%, and a library of 9-substituted analogues was prepared by cross-coupling reactions. Compound 8e, 21, 22, and 24 were tested on recombinant rat alpha(1)beta(3)gamma(2), alpha(2)beta(3)gamma(2), alpha(3)beta(3)gamma(2), and alpha(5)beta(3)gamma(2) subtypes, and displayed selectivity for the alpha(1)beta(3)gamma(2) isoform. (C) 2010 Elsevier Ltd. All rights reserved.