(4-nitrophenyl) (pentyl) sulfane | 80279-56-7

• 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: (4-nitrophenyl) (pentyl) sulfane
• 英文别名: 1-Nitro-4-(pentylsulfanyl)benzene；1-nitro-4-pentylsulfanylbenzene
• CAS: 80279-56-7
• 化学式: C₁₁H₁₅NO₂S
• 分子量: 225.312
• InChiKey: LHTWVZHHRCOJJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (4-nitrophenyl) (pentyl) sulfane 在 乙醇 、 sodium acetate 、 镍 作用下， 生成 4-Pentylmercapto-acetanilid
  参考文献：
  名称：

  Baruffini; Gialdi, Farmaco, Edizione Scientifica, 1958, vol. 13, p. 911,919

  摘要：

  DOI：
• 作为产物：
  描述：

  4-硝基碘苯 、 1-戊硫醇 在 联咪唑 、 copper(II) acetate monohydrate 、 caesium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 3.0h， 以92%的产率得到(4-nitrophenyl) (pentyl) sulfane
  参考文献：
  名称：

  高效的C ？Cu（OAc）2·H2O和2,2'-苯并咪唑催化的硫醇与芳基碘化物的S交叉偶联

  摘要：

  经典的乌尔曼Ç  S的交叉偶联反应芳基碘与芳族/烷基硫醇在15％（摩尔）的Cu（OAc）的催化2 ·H 2在80℃下O和15摩尔％的2,2'-联咪唑作品在DMSO为3小时后即可提供各种芳基硫化物，收率好至极好。

  DOI：

  10.1002/cjoc.201300830

文献信息

• Method of producing polyhydroxyalkanoate from alkane having residue containing aromatic ring in its molecule
  申请人：CANON KABUSHIKI KAISHA

  公开号：EP1367078A2

  公开（公告）日：2003-12-03

  The present invention provides a method of effectively producing polyhydroxyalkanoate having an aromatic substituted residue in its monomer unit. In the method of producing polyhydroxyalkanoate by using microorganisms, microorganisms capable of producing polyhydroxyalkanoate are cultured in a culture medium containing at least one starting compound selected from the group consisting of substituted alkanes represented by formula (1) to produce polyhydroxyalkanoate having, in its molecule, at least one unit selected from the group consisting of 3-hydroxy-substituted alkanoate units represented by formula (2):         R―(CH2)n―CH2―CH2―CH3     (1) wherein R represents a residue containing a substituted aromatic ring, and n represents any integer of 1 to 8; wherein R represents a residue containing a substituted aromatic ring, and n represents any integer of 1 to 8. In formulas (1) and (2), a residue R is as described in the specification.

  本发明提供了一种有效生产聚羟基烷酸酯的方法，该聚羟基烷酸酯的单体单元中具有芳香取代的残基。在利用微生物生产聚羟基烷酸酯的方法中，将能够生产聚羟基烷酸酯的微生物培养在含有至少一种选自由式（1）表示的取代烷烃组成的组的起始化合物的培养基中，以生产其分子中具有至少一个选自由式（2）表示的3-羟基取代烷酸酯单元组成的组的单元的聚羟基烷酸酯： R-(CH2)n- - -CH3 (1) 其中 R 代表含有取代芳香环的残基，n 代表 1 至 8 的任意整数； 其中 R 代表含有取代芳香环的残基，n 代表 1 至 8 的任意整数。在式(1)和(2)中，残基 R 如说明书所述。
• Synthesis and in vitro antifungal activity of 4-substituted phenylguanidinium salts
  作者：Gabriela Braunerová、Vladimír Buchta、Luis Silva、Jiří Kuneš、Karel Palát

  DOI：10.1016/j.farmac.2004.03.001

  日期：2004.6

  A series of 4-substituted phenylguanidinium derivatives was synthesized and its antimicrobial activity was evaluated in vitro against eight potentially pathogenic strains of fungi.
• C-S coupling with nitro group as leaving group via simple inorganic salt catalysis
  作者：Maojie Xuan、Chunlei Lu、Bo-Lin Lin

  DOI：10.1016/j.cclet.2019.07.012

  日期：2020.1

  An efficient and practical synthetic protocol to synthesize nonsymmetrical aryl thioethers by nucleophilic aromatic substitution (SNAr) reaction of nitroarenes by thiols with potassium phosphate as the catalyst is described. Various moderate to strong electron-withdrawing functional groups are tolerated by the system to provide thioethers in a good to excellent yields. We also showed that the present method allows access to 3 drug examples in a short reaction time. Finally, mechanistic studies suggest that the reaction may form the classic Meisenheimer complex through a two-step addition elimination mechanism. (C) 2019 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.
• Synthesis and methemoglobinemia-inducing properties of analogues of para-aminopropiophenone designed as humane rodenticides
  作者：David Rennison、Daniel Conole、Malcolm D. Tingle、Junpeng Yang、Charles T. Eason、Margaret A. Brimble

  DOI：10.1016/j.bmcl.2013.10.046

  日期：2013.12

  A number of structural analogues of the known toxicant para-aminopropiophenone (PAPP) have been prepared and evaluated for their capacity to induce methemoglobinemia-with a view to their possible application as humane pest control agents. It was found that an optimal lipophilicity for the formation of methemoglobin (metHb) in vitro existed for alkyl analogues of PAPP (aminophenones 1-20; compound 6 metHb% = 74.1 +/- 2). Besides lipophilicity, this structural sub-class suggested there were certain structural requirements for activity, with both branched (10-16) and cyclic (17-20) alkyl analogues exhibiting inferior in vitro metHb induction. Of the four candidates (compounds 4, 6, 13 and 23) evaluated in vivo, 4 exhibited the greatest toxicity. In parallel, aminophenone bioisosteres, including oximes 30-32, sulfoxide 33, sulfone 34 and sulfonamides 35-36, were found to be inferior metHb inducers to lead ketone 4. Closer examination of Hammett substituent constants suggests that a particular combination of the field and resonance parameters may be significant with respect to the redox mechanisms behind PAPPs metHb toxicity. (C) 2013 Elsevier Ltd. All rights reserved.
• US7056708B2
  申请人：——

  公开号：US7056708B2

  公开（公告）日：2006-06-06