N,N'-diphenyl-2-butenediamide | 6833-07-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N,N'-diphenyl-2-butenediamide
• 英文别名: (E)-N,N'-diphenylbut-2-enediamide
• CAS: 6833-07-4
• 化学式: C₁₆H₁₄N₂O₂
• 分子量: 266.299
• InChiKey: IHQGFLBAZMFEQN-VAWYXSNFSA-N

物化性质

• 熔点：
  309 °C(Solv: acetic acid (64-19-7))
• 沸点：
  536.9±46.0 °C(Predicted)
• 密度：
  1.267±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N,N'-diphenyl-2-butenediamide 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 1.4-Endomethylen-cyclohexan-2.3-trans-dicarbonsaeure-bis-anilid
  参考文献：
  名称：

  Über alkylierte Amide bicyclischer Dicarbonsäuren, 4. Mitt.:

  摘要：

  DOI：

  10.1007/bf01185918
• 作为产物：
  描述：

  N-苯基丙烯酰胺 在 RuCl2(1,3-dimesityl-imidazolidin-2-yl)(PCy3)(=CHPh) 作用下， 以 四氢呋喃 为溶剂， 以42%的产率得到N,N'-diphenyl-2-butenediamide
  参考文献：
  名称：

  Reactivity of Grubbs' Catalysts with Urea- and Amide-Substituted Olefins. Metathesis and Isomerization

  摘要：

  The reactions of a series of urea- and amide-substituted olefins with Grubbs' catalysts are presented. Depending on the substrate's nature, the formation of either cross-metathesis or isomerization products is observed. To favor the cross-metathesis products, the reactions have been carried out using a wide range of experimental conditions. Upon addition of monophenyl phosphoester to these reactions, the isomerization of the olefins is completely suppressed and the cross-metathesis products are obtained in up to 60% yield.

  DOI：

  10.1021/jo051120y

文献信息

• Simultaneous Quantification of Metabolites Involved in Central Carbon and Energy Metabolism Using Reversed-Phase Liquid Chromatography−Mass Spectrometry and in Vitro ¹³C Labeling
  作者：Wen-Chu Yang、Miroslav Sedlak、Fred E. Regnier、Nathan Mosier、Nancy Ho、Jiri Adamec

  DOI：10.1021/ac801693c

  日期：2008.12.15

  Comprehensive analysis of intracellular metabolites is a critical component of elucidating cellular processes. Although the resolution and flexibility of reversed-phase liquid chromatography−mass spectrometry (RPLC−MS) makes it one of the most powerful analytical tools for metabolite analysis, the structural diversity of even the simplest metabolome provides a formidable analytical challenge. Here we describe a robust RPLC−MS method for identification and quantification of a diverse group of metabolites ranging from sugars, phosphosugars, and carboxylic acids to phosphocarboxylics acids, nucleotides, and coenzymes. This method is based on in vitro derivatization with a 13C-labeled tag that allows internal standard based quantification and enables separation of structural isomer pairs like glucose 6-phosphate and fructose 6-phosphate in a single chromatographic run. Calibration curves for individual metabolites showed linearity ranging over more than 2 orders of magnitude with correlation coefficients of R2 > 0.9975. The detection limits at a signal-to-noise ratio of 3 were below 1.0 μM (20 pmol) for most compounds. Thirty common metabolites involved in glycolysis, the pentose phosphate pathway, and tricarboxylic acid cycle were identified and quantified from yeast lysate with a relative standard deviation of less than 10%.

  详细分析细胞内代谢物是阐明细胞过程的关键组成部分。尽管反相液相色谱-质谱联用（RPLC-MS）的分辨率和灵活性使其成为代谢物分析中最强大的分析工具之一，但即使是简单的代谢组，其结构的多样性也带来了巨大的分析挑战。本文描述了一种稳健的RPLC-MS方法，用于鉴定和定量一系列广泛的代谢物，包括糖类、磷酸糖、羧酸、磷酸羧酸、核苷酸和辅酶。该方法基于使用13C标记标签的体外衍生化，允许基于内标的定量，并能在单次色谱运行中分离结构异构体对，如葡萄糖6-磷酸和果糖6-磷酸。单个代谢物的校准曲线显示线性范围超过两个数量级，相关系数R² > 0.9975。大多数化合物的信噪比为3的检测限低于1.0 μM（20 pmol）。从酵母裂解液中鉴定和定量了涉及糖酵解、戊糖磷酸途径和三羧酸循环的30种常见代谢物，相对标准偏差小于10%。
• Anion−π Interaction in a Diketopyrrolopyrrole Derivative
  作者：Tianwen Chen、Liyuan Wang、Shayu Li、Lichun Dong、Luxi Tan

  DOI：10.1021/acs.orglett.3c02002

  日期：2023.8.11

  In this work, an N-substituted diketopyrrolopyrrole (DPP) derivative Ph-DPP was synthesized, showing interaction toward Lewis alkaline anions such as F–. The typical electron-transfer-dominated anion−π interaction product Ph-DPP•– and unexpected isomer product i-Ph-DPP were both observed, and their formation mechanism was studied by density functional theory calculations, suggesting that a deprotonation

  在这项工作中，合成了一种 N-取代的二酮吡咯并吡咯 (DPP) 衍生物 Ph-DPP，显示出与路易斯碱性阴离子（如 F – ）的相互作用。观察到典型的电子转移主导的阴离子-π相互作用产物Ph-DPP ·–和意想不到的异构体产物i-Ph-DPP，并通过密度泛函理论计算研究了它们的形成机制，表明去质子化引发路线是有利的，这为理解 F –在这种非共价分子间相互作用中的有争议的作用提供了有趣的见解。
• Ink jet ink with improved reliability
  申请人：——

  公开号：US20040123773A1

  公开（公告）日：2004-07-01

  An ink composition comprising: a self-dispersing carbon black, a binder, a stabilizing dye comprising at least as many groups comprising CO 2 H or COSH as groups comprising SO 3 H, and an aqueous vehicle. The stabilizing dye can improve the reliability and performance of the ink composition. The addition of the stabilizing dye can reduce or prevent the formation of material that blocks the printhead vias and throats as a result of the presence of a binder in the ink. The ink composition can reduce the amount of maintenance needed to retain all of a printhead's nozzles through the life of the printhead.

  一种墨水组合物，包括：一种自分散炭黑、一种粘合剂、一种稳定染料，该染料至少包含由 CO 2 H 或 COSH 所组成的基团与 SO 3 H 所组成的基团数目至少相同的稳定染料，以及水性载体。稳定染料可以提高油墨组合物的可靠性和性能。添加稳定染料可以减少或防止因墨水中存在粘合剂而形成堵塞喷头通孔和喉管的材料。墨水组合物可以减少在喷头寿命期间保留喷头所有喷嘴所需的维护量。
• Yonezawa, Noriyuki; Yoshida, Tsuyoshi; Hasegawa, Masaki, Journal of the Chemical Society. Perkin transactions I, 1983, # 5, p. 1083 - 1086
  作者：Yonezawa, Noriyuki、Yoshida, Tsuyoshi、Hasegawa, Masaki

  DOI：——

  日期：——
• YONEZAWA, NORIYUKI;YOSHIDA, TSUYOSHI;HASEGAWA, MASAKI, J. CHEM. SOC. PERKIN TRANS., 1983, N 5, 1083-1086
  作者：YONEZAWA, NORIYUKI、YOSHIDA, TSUYOSHI、HASEGAWA, MASAKI

  DOI：——

  日期：——