Aniline, N,N-diethyl-p-(p-tolylsulfonamido)- | 19770-76-4

• 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: Aniline, N,N-diethyl-p-(p-tolylsulfonamido)-
• 英文别名: N-[4-(diethylamino)phenyl]-4-methylbenzenesulfonamide
• CAS: 19770-76-4
• 化学式: C₁₇H₂₂N₂O₂S
• mdl: MFCD01071213
• 分子量: 318.44
• InChiKey: ONDXXZIDUKAMOL-UHFFFAOYSA-N

物化性质

• 熔点：
  154-156 °C (decomp)
• 沸点：
  469.8±55.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  57.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Aniline, N,N-diethyl-p-(p-tolylsulfonamido)- 以 aq. phosphate buffer 为溶剂， 生成
  参考文献：
  名称：

  一些二胺衍生物的热力学和电化学氧化：实验和理论研究

  摘要：

  Electrochemical oxidation of some diamine derivatives (1H(+)-411(+)) has been investigated both experimentally and theoretically. Experimental results were obtained using cyclic voltammetry and controlled potential coulometry and the theoretical results were calculated at DFT (B3LYP and BP86) levels of theory and 6-311+G (p,d) basis set. The calculated result indicates that oxidation potential of 1H(+)-4H(+) is directly dependent on the Delta G(tot) and species with more positive oxidation potential (E-pA1) have larger Delta G(tot), values. Also in this paper electrochemical oxidations of N,N-diethyl-p-phenylenediamine (3) were studied in the absence and in the presence of some nucleophiles. Mechanistic study of the electrochemical oxidation of 3 indicates that its electrochemical oxidation proceed in the thermodynamically favored direction. (C) 2015 The Electrochemical Society. All rights reserved.

  DOI：

  10.1149/2.0351512jes
• 作为产物：
  描述：

  对甲苯亚磺酸 、 N,N-二乙基对苯二胺 在 potassium hexacyanoferrate(III) 作用下， 以92%的产率得到Aniline, N,N-diethyl-p-(p-tolylsulfonamido)-
  参考文献：
  名称：

  N，N-二烷基-对苯二胺和芳基亚磺酸的化学和电化学氧化偶联。磺酰胺衍生物的合成

  摘要：

  在芳基亚磺酸作为亲核试剂的水溶液中，已经研究了N，N-二烷基-对苯二胺的电化学氧化和化学氧化，以合成磺酰胺衍生物。结果表明，电化学或化学生成的醌-二亚胺参与了与芳基亚磺酸的迈克尔型加成反应，并被转化为相应的磺酰胺衍生物。

  DOI：

  10.1016/j.tetlet.2010.10.014

文献信息

• Utilization of transition metal fluoride-based solid support catalysts for the synthesis of sulfonamides: carbonic anhydrase inhibitory activity and <i>in silico</i> study
  作者：Deedar Ali、Sayyeda Tayyeba Amjad、Zainab Shafique、Muhammad Moazzam Naseer、Mariya al-Rashida、Tayyaba Allamgir Sindhu、Shafia Iftikhar、Muhammad Raza Shah、Abdul Hameed、Jamshed Iqbal

  DOI：10.1039/d1ra07844e

  日期：——

  The applications of solid support catalysts in catalyzing organic reactions are well-evident. In the present study, we explored a transition metal fluoride (FeF3) adsorbed on molecular sieves (4 Å) as a solid support catalyst for the preparation of sulfonamides 3a–3o. The solid support catalyst was characterized via X-ray diffraction and AFM analysis. The catalyst was further explored for the synthesis

  固体载体催化剂在催化有机反应中的应用是显而易见的。在本研究中，我们探索了一种吸附在分子筛（4 Å）上的过渡金属氟化物（FeF 3 ）作为制备磺胺类药物3a-3o的固体载体催化剂。通过X 射线衍射和 AFM 分析对固体载体催化剂进行了表征。进一步探索了该催化剂用于合成吲哚6a-h、1H-四唑和 1,4-二氢吡啶。研究了本文制备的磺胺类药物抑制碳酸酐酶（hCA II、hCA IX 和 hCA XII）的潜力。发现所有化合物都是具有 IC 50的活性抑制剂在低微摩尔范围内的值。有些化合物甚至被发现是高度选择性的抑制剂。化合物3i仅抑制 hCA II (IC 50 = 2.76 ± 1.1 μM) 并且对 hCA IX 和 hCA XII 具有 <27% 的抑制作用。类似地，3e (IC 50 = 0.63 ± 0.14 μM) 仅抑制 hCA XII，对 hCA II 和 hCA IX 的抑制
• Photosensitive material especially photosensitive presensitized printing plate and leuco-dyes contained therein
  申请人：KONICA CORPORATION

  公开号：EP0035262A2

  公开（公告）日：1981-09-09

  A photosensitive material having a photosensitive layer provided on a support which photosensitive layer comprises a compound represented by the formula [i]: wherein [COUP] represent a 4-equivatent coupler from which a hydrogen is removed at a coupling position thereof, B is a hydroxy group or wherein R6 and R7 are individually and alkyl group or they may form a 1-piperidino, 1-piperazino, 1-pyrolidino or 4-morpholino group together with each other, R1 is an alkyl, aryl, alkylamino or arylamino group, and R2, R3, R4 and R5 individually are a hydrogen or halogen atom or aliphatic or aromatic group, or R2 and R3 may be fused to form a naphthalene ring. The invention also relates to a presensitized printing plate as such material and to leuco-dyes contained therein.

  一种光敏材料，其光敏层设置在支持物上，该光敏层包括由式[i]表示的化合物： 其中[COUP]代表一种 4 等价偶联剂，在其偶联位置上去掉了一个氢、 B是羟基或 其中 R6 和 R7 分别为烷基，或可彼此形成 1-哌啶基、1-哌嗪基、1-吡咯烷基或 4-吗啉基、 R1 是烷基、芳基、烷基氨基或芳基氨基，以及 R2、R3、R4 和 R5 分别是氢原子、卤素原子或脂肪族或芳香族基团，或 R2 和 R3 可融合形成萘环。 本发明还涉及作为此类材料的预敏化印版以及其中所含的白基染料。
• JPH09263581A
  申请人：——

  公开号：JPH09263581A

  公开（公告）日：1997-10-07
• Thermodynamic and Electrochemical Oxidation of Some Diamine Derivatives: Experimental and Theoretical Investigation
  作者：Hadi Beiginejad、Davood Nematollahi、Sadegh Khazalpour

  DOI：10.1149/2.0351512jes

  日期：——

  Electrochemical oxidation of some diamine derivatives (1H(+)-411(+)) has been investigated both experimentally and theoretically. Experimental results were obtained using cyclic voltammetry and controlled potential coulometry and the theoretical results were calculated at DFT (B3LYP and BP86) levels of theory and 6-311+G (p,d) basis set. The calculated result indicates that oxidation potential of 1H(+)-4H(+) is directly dependent on the Delta G(tot) and species with more positive oxidation potential (E-pA1) have larger Delta G(tot), values. Also in this paper electrochemical oxidations of N,N-diethyl-p-phenylenediamine (3) were studied in the absence and in the presence of some nucleophiles. Mechanistic study of the electrochemical oxidation of 3 indicates that its electrochemical oxidation proceed in the thermodynamically favored direction. (C) 2015 The Electrochemical Society. All rights reserved.
• Chemical and electrochemical oxidative coupling of N,N-dialkyl-p-phenylenediamines and arylsulfinic acids. Synthesis of sulfonamide derivatives
  作者：D. Nematollahi、E. Mehdipour、A. Zeinodini-Meimand、A. Maleki

  DOI：10.1016/j.tetlet.2010.10.014

  日期：2010.12

  Electrochemical and chemical oxidation of N,N-dialkyl-p-phenylenediamines have been studied in the presence of arylsulfinic acids as nucleophiles in aqueous solutions for the synthesis of sulfonamide derivatives. The results indicate that the electrochemically or chemically generated quinone-diimines participate in Michael-type addition reactions with arylsulfinic acids and are converted into the corresponding

  在芳基亚磺酸作为亲核试剂的水溶液中，已经研究了N，N-二烷基-对苯二胺的电化学氧化和化学氧化，以合成磺酰胺衍生物。结果表明，电化学或化学生成的醌-二亚胺参与了与芳基亚磺酸的迈克尔型加成反应，并被转化为相应的磺酰胺衍生物。

表征谱图