(E)-1-nitro-3-(prop-1-en-1-yl)benzene | 23204-79-7

• 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: (E)-1-nitro-3-(prop-1-en-1-yl)benzene
• 英文别名: (E)-1-nitro-3-(prop-1-enyl)benzene；(E)-1-(3-nitrophenyl)propene；trans-3-(3-Nitro-phenyl)-propen-(2)；trans-m-Nitro-β-methylstyrol；trans-1-(3-Nitrophenyl)-propen；1-Nitro-3-(1-propen-1-yl)benzene；1-nitro-3-[(E)-prop-1-enyl]benzene
• CAS: 23204-79-7
• 化学式: C₉H₉NO₂
• 分子量: 163.176
• InChiKey: CIEWKRXAENFCEM-DUXPYHPUSA-N

物化性质

• 沸点：
  260.5±19.0 °C(Predicted)
• 密度：
  1.147±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (E)-1-nitro-3-(prop-1-en-1-yl)benzene 、 2,4-二硝基苯硫氯 生成 1-[(1R,2S)-2-Chloro-1-methyl-2-(3-nitro-phenyl)-ethylsulfanyl]-2,4-dinitro-benzene
  参考文献：
  名称：

  Schmid,G.H.; Nowlan,V.J., Canadian Journal of Chemistry, 1976, vol. 54, p. 695 - 702

  摘要：

  DOI：
• 作为产物：
  描述：

  3-硝基肉桂酸 在 iron(III) chloride 、 二叔丁基过氧化物 作用下， 以 二甲基亚砜 为溶剂， 反应 12.0h， 以43%的产率得到(E)-1-nitro-3-(prop-1-en-1-yl)benzene
  参考文献：
  名称：

  Iron-catalyzed decarboxylative methylation of α,β-unsaturated acids under ligand-free conditions

  摘要：

  It is the first time to find that iron-catalyzed decarboxylative methylation of alpha,beta-unsaturated acids could be performed in the absence of any ligands. During the reaction, the configuration of the double bond could be retained. It is noteworthy that di-tert-butyl peroxide (DTBP) was employed not only as the oxidant, but also as the methyl source. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.06.014

文献信息

• [EN] NON-PEPTIDIC NEUROPEPTIDE Y RECEPTOR MODULATORS<br/>[FR] MODULATEURS DE RÉCEPTEUR DE NEUROPEPTIDE Y NON PEPTIDIQUE
  申请人：ROBERTS EDWARD

  公开号：WO2014116684A1

  公开（公告）日：2014-07-31

  The invention provides compounds that are modulators of neuropeptide Y (NPY) receptors, which can be selective inhibitors of NPY receptor Y2R. NPY receptor modulatory compounds are of the general formula Ar2-Y-Ar1-W-Ar3, wherein the variables are as defined herein. Compounds of the invention can be used for treatment of malconditions in patients wherein modulation of an NPY receptor is medically indicated, for example including drug or alcohol abuse, anxiety disorders, depression, stress-related disorders, neurological disorders, nerve degeneration, osteoporosis or bone loss, sleep/wake disorders, cardiovascular diseases, obesity, anorexia, inovulation, fertility disorders, angiogenesis, cell proliferation, learning and memory disorders, migraine and pain.

  该发明提供了调节神经肽Y（NPY）受体的化合物，这些化合物可以是NPY受体Y2R的选择性抑制剂。NPY受体调节化合物的一般结构式为Ar2-Y-Ar1-W-Ar3，其中变量如本文所定义。该发明的化合物可用于治疗患者的异常情况，其中调节NPY受体在医学上指示，例如包括药物或酒精滥用、焦虑症、抑郁症、与压力相关的疾病、神经系统疾病、神经退化、骨质疏松或骨质流失、睡眠/清醒障碍、心血管疾病、肥胖、厌食症、排卵障碍、生育障碍、血管生成、细胞增殖、学习和记忆障碍、偏头痛和疼痛。
• NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF
  申请人：Yokotani Junichi

  公开号：US20090240052A1

  公开（公告）日：2009-09-24

  An anthranilic acid derivative represented by the general formula (X) [wherein R 1 represents hydrogen or a carboxy-protecting group; R 2 represents optionally substituted phenyl, a heterocyclic group, etc.; R 3 represents optionally substituted phenyl, a monocyclic heterocyclic group, etc.; X 1 represents carbonyl, etc.; X 2 represents optionally substituted alkylene group, a bond, etc.; X 3 represents oxygen, a bond, etc.; and X 4 represents a group represented by the general formula -X 5 -X 6 - or -X 6 -X 5 - (wherein X 5 means oxygen, a bond, etc.; and X 6 means optionally substituted alkylene, a bond, etc.)] or a salt of the derivative. The derivative or salt has the inhibitory activity of MMP- 13 production and is hence useful as a therapeutic agent for articular rheumatism, osteoarthritis, cancer, etc.

  一种由通式（X）表示的蒽酸衍生物[其中R1表示氢或羧基保护基；R2表示可选取代的苯基，杂环基等；R3表示可选取代的苯基，单环杂环基等；X1表示羰基等；X2表示可选取代的烷基，键等；X3表示氧原子，键等；X4表示由通式-X5-X6-或-X6-X5-表示的基团（其中X5表示氧原子，键等；X6表示可选取代的烷基，键等）]或其盐。该衍生物或盐具有MMP-13的抑制活性，因此可用作关节风湿病，骨关节炎，癌症等的治疗剂。
• B(C ₆ F ₅ ) ₃ ‐Catalyzed <i>E</i> ‐Selective Isomerization of Alkenes
  作者：Betty A. Kustiana、Salma A. Elsherbeni、Thomas G. Linford‐Wood、Rebecca L. Melen、Matthew N. Grayson、Louis C. Morrill

  DOI：10.1002/chem.202202454

  日期：2022.11.11

  report the B(C6F5)3-catalyzed E-selective isomerization of alkenes. The transition-metal-free method is applicable across a diverse array of readily accessible substrates, accessing a broad range of synthetically useful products containing versatile stereodefined internal alkenes. Synthetic and computational mechanistic studies indicate that the isomerization proceeds along competing 1,2-hydride shift

  Move along !：在此，我们报道了 B(C 6 F 5 ) 3 -催化的E -烯烃选择性异构化。不含过渡金属的方法适用于各种易于获得的底物，可获得范围广泛的合成有用产品，其中包含多功能立体定义的内部烯烃。合成和计算机理研究表明，异构化沿着竞争性 1,2-氢化物转移和氢化物提取途径进行。
• Acetone Serving as a Solvent and Interaction Partner Promotes the Direct Olefination of <i>N</i>-Tosylhydrazones under Visible Light
  作者：Dingding Xia、Tong Li、Xin-Yan Ke、Jinxin Wang、Xin Luan、Shao-Fei Ni、Yu Zhang、Wei-Dong Zhang

  DOI：10.1021/acs.joc.4c00184

  日期：——

  a solvent and an interaction partner. This protocol also features broad substrate scope, excellent functional group compatibility, and mild reaction conditions without transition metals. Moreover, the gram-scale synthesis of olefins and the generation of pharmaceutical intermediates highlighted its practical applicability. Lastly, mechanistic studies indicate that the reaction was initiated via noncovalent

  促进有机转化的非共价相互作用的光化学是一种新兴方法，为合成化学提供了新的机会。通常，需要添加外部物质作为相互作用伙伴，从而牺牲了反应的原子经济性。在此，我们描述了一种无催化剂和非共价相互作用介导的策略，使用丙酮作为溶剂和相互作用伙伴来实现N-甲苯磺酰腙的烯化。该方案还具有广泛的底物范围、优异的官能团兼容性以及不含过渡金属的温和反应条件等特点。此外，克级烯烃的合成和医药中间体的生成凸显了其实际应用性。最后，机理研究表明该反应是通过丙酮和N-甲苯磺酰腙阴离子之间的非共价相互作用引发的，这也得到了密度泛函理论计算的支持。
• Alkene <i>anti</i>-Dihydroxylation with Malonoyl Peroxides
  作者：Carla Alamillo-Ferrer、Stuart C. Davidson、Michael J. Rawling、Natalie H. Theodoulou、Matthew Campbell、Philip G. Humphreys、Alan R. Kennedy、Nicholas C. O. Tomkinson

  DOI：10.1021/acs.orglett.5b02674

  日期：2015.10.16

  Malonoyl peroxide 1, prepared in a single step from the commercially available diacid, is an effective reagent for the anti-dihydroxylation of alkenes. Reaction of 1 with an alkene in the presence of acetic acid at 40 degrees C followed by alkaline hydrolysis leads to the corresponding diol (35-92%) with up to 13:1 anti-selectivity. A mechanism consistent with experimental findings is proposed that accounts for the selectivity observed.