1-chloro-4-(4-nitrobenzyl)benzene | 30203-94-2

• 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: 1-chloro-4-(4-nitrobenzyl)benzene
• 英文别名: (4-chloro-phenyl)-(4-nitro-phenyl)-methane；(4-Chlor-phenyl)-(4-nitro-phenyl)-methan；4-Chlor-4'-nitro-diphenylmethan；p-Chlor-p'-nitrodiphenylmethan；1-[(4-Chlorophenyl)methyl]-4-nitrobenzene
• CAS: 30203-94-2
• 化学式: C₁₃H₁₀ClNO₂
• 分子量: 247.681
• InChiKey: WGQWXYULXUBNJK-UHFFFAOYSA-N

物化性质

• 熔点：
  104.5 °C(Solv: ligroine (8032-32-4))
• 沸点：
  247 °C(Press: 19 Torr)
• 密度：
  1.285±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.84
• 重原子数：
  17.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  43.14
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1-chloro-4-(4-nitrobenzyl)benzene 在 chromium(VI) oxide 作用下， 生成 4-氯-4-硝基苯甲酮
  参考文献：
  名称：

  Boeseken, Recueil des Travaux Chimiques des Pays-Bas, 1904, vol. 23, p. 107

  摘要：

  DOI：
• 作为产物：
  描述：

  对硝基苯乙酸 在 bis(η3-allyl-μ-chloropalladium(II)) 、 potassium tert-butylate 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 乙醇 、 均三甲苯 为溶剂， 反应 11.17h， 生成 1-chloro-4-(4-nitrobenzyl)benzene
  参考文献：
  名称：

  钯催化的硝基硝基乙酸钾与芳基卤化物的脱羧偶联

  摘要：

  已经开发了2-和4-硝基苯基乙酸钾与芳基氯化物和溴化物的钯催化的脱羧交叉偶联。由于硝基可以很容易地转化为许多其他官能团，因此该新反应为制备各种1,1-二芳基甲烷及其衍生物提供了一种有用的方法。

  DOI：

  10.1021/ol201750s

文献信息

• Photochemical phenylation and oxidation of halogen-substituted di-phenylmethanes in benzene
  作者：G. E. Robinson、J. M. Vernon

  DOI：10.1039/j39700002586

  日期：——

  Several chloro- and bromo-diphenylmethanes are photolysed in benzene under nitrogen to the corresponding phenylated and reduced compounds. Photolysis in presence of air gives additionally ketonic products, whose formation is explained in terms of a halogen-catalysed photo-oxidation reaction.

  数种氯和溴代二苯甲烷在氮气氛下在苯中光解为相应的苯基化和还原的化合物。在空气存在下的光解还产生了酮类产物，其形成是通过卤素催化的光氧化反应来解释的。
• Dual copper- and photoredox-catalysed C(sp²)–C(sp³) coupling
  作者：Euan B. McLean、Vincent Gauchot、Sebastian Brunen、David J. Burns、Ai-Lan Lee

  DOI：10.1039/c9cc01718f

  日期：——

  The use of copper catalysis with visible light photoredox catalysis in a cooperative fashion has recently emerged as a versatile means of developing new C–C bond forming reactions. In this work, dual copper and photoredox catalysis is exploited to effect C(sp2)–C(sp3) cross-couplings between aryl boronic acids and benzyl bromides.

  铜催化与可见光光氧化还原催化以合作方式的结合最近已成为开发新型C–C键形成反应的通用手段。在这项工作中，利用铜和光氧化还原双重催化作用来实现芳基硼酸和苄基溴之间的C（sp 2）–C（sp 3）交叉偶联。
• [EN] METHOD FOR INHIBITION OF DEUBIQUITINATING ACTIVITY<br/>[FR] MÉTHODE D'INHIBITION DE L'ACTIVITÉ DE DÉSUBIQUITINATION
  申请人：VIVOLUX AB

  公开号：WO2013058691A1

  公开（公告）日：2013-04-25

  A compound of the general structure (I) is capable of abrogating the deubiquitinating (DUB) activity of the 19S RP DUBs. The compound can be used for treating cancer, in particular of cancer refractory to treatment by state-of-the-art chemotherapy. Also disclosed are corresponding methods of treatment and a pharmaceutical composition comprising the compound.

  一种具有一般结构（I）的化合物能够废除19S RP DUBs的去泛素化（DUB）活性。该化合物可用于治疗癌症，特别是对于无法通过最先进化疗治疗的癌症。还公开了相应的治疗方法和包含该化合物的药物组合物。
• Quinolone Carboxylic Acids as a Novel Monoketo Acid Class of Human Immunodeficiency Virus Type 1 Integrase Inhibitors
  作者：Motohide Sato、Hiroshi Kawakami、Takahisa Motomura、Hisateru Aramaki、Takashi Matsuda、Masaki Yamashita、Yoshiharu Ito、Yuji Matsuzaki、Kazunobu Yamataka、Satoru Ikeda、Hisashi Shinkai

  DOI：10.1021/jm900460z

  日期：2009.8.13

  Human immunodeficiency virus type 1 (HIV-1) integrase is a crucial target for antiretroviral drugs, and several keto-enol acid class (often referred to as diketo acid class) inhibitors have clinically exhibited marked antiretroviral activity. Here, we show the synthesis and the detailed structure-activity relationship of the quinolone carboxylic acids as a novel monoketo acid class of integrase inhibitors. 6-(3-Chloro-2-fluorobenzyl)- 1-((2,S)-1-hydroxy-3,3-dimethylbutan-2-yl)-7-methoxy-4-oxo- 1,4-dihydroquinoline-3-carboxylic acid 51, which showed an IC50 of 5.8 nM in the strand transfer assay and an ED50 of 0.6 nM in the antiviral assay, and 6-(3-chloro-2-fluorobenzyl)-1-((2S)-1-hydroxy-3-methylbutan-2-yl)-7-methoxy-4-oxo-4-dihydroquinoline-3-carboxylic acid 49, which had an IC50 of 7.2 nM and an ED50 of 0.9 nM, were the most potent compounds in this class. The monoketo acid 49 was much more potent at inhibiting integrase-catalyzed strand transfer processes than 3'-processing reactions, as is the case with the keto-enol acids. Elvitegravir 49 was chosen as a candidate for further studies and is currently in phase 3 clinical trials.
• 57. Alkylation of the aromatic nucleus. Part VIII. Benzylation and cyclohexylmethylation
  作者：J. Blackwell、W. J. Hickinbottom

  DOI：10.1039/jr9630000366

  日期：——