bis(4-nitrobenzyl) sulfide | 1835-71-8

• 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: bis(4-nitrobenzyl) sulfide
• 英文别名: bis(p-nitrobenzyl) sulfide；bis-4-nitrobenzyl sulphide；bis-(4-nitro-benzyl)-sulfide；Bis-(4-nitro-benzyl)-sulfid；4.4'-Dinitro-dibenzylsulfid；Bis-(4-nitrobenzyl) sulphide；Hydroxy(4-(((4-(hydroxy(oxido)amino)benzyl)thio)methyl)phenyl)azane oxide；1-nitro-4-[(4-nitrophenyl)methylsulfanylmethyl]benzene
• CAS: 1835-71-8
• 化学式: C₁₄H₁₂N₂O₄S
• 分子量: 304.326
• InChiKey: GBXDBWABBXCMOL-UHFFFAOYSA-N

物化性质

• 熔点：
  159 °C
• 沸点：
  495.3±30.0 °C(Predicted)
• 密度：
  1.379±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  117
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  bis(4-nitrobenzyl) sulfide 在 Amberlyst A-26 resin 作用下， 以 苯 为溶剂， 生成 1-methyl-4-[(4-nitrophenyl)-[(4-nitrophenyl)methylsulfanyl]methyl]sulfanylsulfonylbenzene
  参考文献：
  名称：

  硫代磺酸盐转变为α-磺酰基二硫化物，一种新型的硫代醛前体

  摘要：

  甲苯-对-硫代磺酸盐，RCH 2 SSO 2 Tol（1），其中R是吸电子基团，很容易转变为α-磺酰基二硫化物（2），与三乙胺一起进行裂解-消除反应，得到2摩尔硫代醛，RCHS。

  DOI：

  10.1039/c39840001469
• 作为产物：
  描述：

  thiocarbamic acid S-(4-nitro-benzyl ester) 在 盐酸 作用下， 生成 bis(4-nitrobenzyl) sulfide
  参考文献：
  名称：

  .alpha.-Carbon-sulfur oxidation-reduction reactions of sulfoxides. The case of benzylic sulfoxides

  摘要：

  DOI：

  10.1021/jo01263a030

文献信息

• [EN] COMPOUNDS COMPRISING CLEAVABLE LINKER AND USES THEREOF<br/>[FR] COMPOSÉS COMPRENANT UN LIEUR CLIVABLE ET LEURS UTILISATIONS
  申请人：INTOCELL INC

  公开号：WO2019008441A1

  公开（公告）日：2019-01-10

  Provided are a compound including a cleavable linker, a use thereof, and an intermediate compound for preparing the same, and more particularly, the compound including a cleavable linker of the present invention may include an active agent (for example, a drug, a toxin, a ligand, a probe for detection, etc.) having a specific function or activity, a SO2 functional group which is capable of selectively releasing the active agent, and a functional group which triggers a chemical reaction, a physicochemical reaction and/or a biological reaction by external stimulation, and may further include a ligand (for example, oligopeptide, polypeptide, antibody, etc.) having binding specificity for a desired target receptor.

  提供了一种包括可切割连接物的化合物，其用途，以及用于制备该化合物的中间体化合物，更具体地，本发明的包括可切割连接物的化合物可能包括具有特定功能或活性的活性剂（例如，药物，毒素，配体，用于检测的探针等），能够选择性释放活性剂的SO2官能团，以及通过外部刺激触发化学反应，物理化学反应和/或生物反应的官能团，并且还可以包括具有与所需靶受体结合特异性的配体（例如，寡肽，多肽，抗体等）。
• Generalized Synthesis and Physical Properties of Dialkoxy Disulfides
  作者：Eli Zysman-Colman、David N. Harpp

  DOI：10.1021/jo050574s

  日期：2005.7.1

  of the inherently large barrier to rotation and the resultant thermal decomposition pathway is discussed. Both phenomena are shown to be solvent independent; hindered rotation is substrate independent. The decomposition of 1a is ca. 7 kcal/mol higher than the barrier to rotation about the S−S bond. The combined evidence suggests acyclic unsymmetric homolytic cleavage of the dialkoxy disulfide.

  为了研究醇的S 2 Cl 2偶联形成二烷氧基二硫化物的范围，进行了底物研究。化合物1b和1f是新化合物；连同1a，1c，1h和1j一起，所有标题化合物均得到了充分表征，产率为1a和1c已根据先前报道的合成方法进行了优化。随着产率的变化，已经仔细探究了R-取代基关于OSSO部分的作用。进行了此类聚结行为的底物和溶剂研究。讨论了旋转固有的大障碍的起源以及由此产生的热分解途径。两种现象均显示出与溶剂无关。旋转受阻与基材无关。1a的分解约为。比围绕S-S键旋转的势垒高7 kcal / mol。综合证据表明，二烷氧基二硫化物的无环不对称均质裂解。
• Managing Money, Managing Coupledom: A Critical Examination of Cohabitants' Money Management Practices
  作者：Vivienne Elizabeth

  DOI：10.1111/1467-954x.00338

  日期：2001.8

  This article focuses on the use of independent money management by a small number of cohabitants living in New Zealand. This style of money management seems to be popular with cohabitants and is likely to become increasingly significant as the number of couples who cohabit continues to grow in Western countries such as New Zealand. Yet it has received sparse attention within the literature on domestic monies. This literature has noted that money management practices operate either to diminish or to exacerbate inequalities between women and men, most noticeably in the realm of decision-making and personal spending money. Independent money management is pursued in order to achieve equality and autonomy, thereby overcoming some of the difficulties identified in other forms of money management. However, it is argued that equality and autonomy exist in tension with each other. In certain relational settings, adherence to the goal of autonomy leads to the emergence of inequalities and the continued exercise of power within heterosexual relationships.

  本文重点介绍居住在新西兰的少数同居者使用独立理财的情况。这种理财方式似乎很受同居者的欢迎，而且随着新西兰等西方国家同居者人数的不断增加，这种理财方式可能会变得越来越重要。然而，在有关家庭货币的文献中，这种方式却很少受到关注。这些文献指出，金钱管理的做法要么减少要么加剧了男女之间的不平等，最明显的是在决策和个人花销方面。追求独立理财是为了实现平等和自主，从而克服在其他形式的理财中发现的一些困难。然而，有观点认为，平等和自主是相互矛盾的。在某些关系环境中，坚持自主的目标会导致异性关系中不平等的出现和权力的继续行使。
• Direct Measurement of the Rates of Ionic Dissociation by Dynamic NMR Technique. Dissociation of α-Chlorodibenzyl Sulfides
  作者：Kazutaka Arai、Michinori Oki

  DOI：10.1246/bcsj.50.175

  日期：1977.1

  substituent effects on the ease of the exchange process of protons in p,p′-disubstituted α-chlorodibenzyl sulfides indicate that the process occurs with the dissociation of the compounds into benzylic cations and chloride ion. It is possible to measure the rates of ionic dissocation by observing the change in the line shape of signals in 1H NMR spectra. The scope of the method is discussed.

  通过动态核磁共振观察了α-氯二苄基硫化物的非对映质子的交换过程。溶剂的极性效应和取代基效应对 p,p'-二取代 α-氯二苄基硫化物中质子交换过程的容易程度表明，该过程发生在化合物解离成苄基阳离子和氯离子的过程中。可以通过观察 1H NMR 光谱中信号线形的变化来测量离子解离速率。讨论了该方法的范围。
• Therapeutic agents useful for treating or preventing pain
  申请人：——

  公开号：US20040006091A1

  公开（公告）日：2004-01-08

  A compound of formula: 1 (wherein X is O or S and R 1 , R 3 , R 4 , and R 5 are disclosed herein) or a pharmaceutically acceptable salt thereof (a “Thiadiazolylpiperazine Compound”), pharmaceutical compositions comprising a Thiadiazolylpiperazine Compound, and methods for treating or preventing pain in a patient comprising administering to a patient in need thereof an effective amount of a Thiadiazolylpiperazine Compound are disclosed.

  该化合物的化学式为：1（其中X为O或S，R1、R3、R4和R5在此披露）或其药用盐（“噻二唑基哌嗪化合物”），包括噻二唑基哌嗪化合物的药物组合物，以及治疗或预防患者疼痛的方法，包括向需要的患者给予有效剂量的噻二唑基哌嗪化合物。