3-[(E)-2-硝基乙烯基]苯甲腈 | 115665-97-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-[(E)-2-硝基乙烯基]苯甲腈
• 英文名称: (E)-3-(2-nitrovinyl)benzonitrile
• 英文别名: Benzonitrile, 3-(2-nitroethenyl)-；3-[(E)-2-nitroethenyl]benzonitrile
• CAS: 115665-97-9
• 化学式: C₉H₆N₂O₂
• 分子量: 174.159
• InChiKey: CDJHTQWXSZMZNZ-SNAWJCMRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  69.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-[(E)-2-硝基乙烯基]苯甲腈 以 水 为溶剂， 反应 73.0h， 以69%的产率得到3-(2-Nitro-ethyl)-benzonitrile
  参考文献：
  名称：

  Reduction of Aromatic Nitroalkenes with Bake's Yeast

  摘要：

  Aromatic nitroalkenes were reduced chemoselectively with baker's yeast to give the corresponding nitroalkanes.

  DOI：

  10.3987/com-93-s64
• 作为产物：
  描述：

  3-氨基苯甲醛 在 氢氧化钾 、 乙醇 、 水 、 copper(II) sulfate 作用下， 生成 3-[(E)-2-硝基乙烯基]苯甲腈
  参考文献：
  名称：

  Slotta; Kethur, Chemische Berichte, 1938, vol. 71, p. 59,63

  摘要：

  DOI：

文献信息

• Visible light-mediated intermolecular [2 + 2] photocycloaddition of 1-aryl-2-nitroethenes and olefins
  作者：Lisa-Marie Mohr、Andreas Bauer、Christian Jandl、Thorsten Bach

  DOI：10.1039/c9ob01146c

  日期：——

  many direct [2 + 2] photocycloaddition reactions which can be performed with visible light in the absence of a catalyst. A notable exception is the reaction of 1-aryl-2-nitroethenes and olefins which can be performed at a wavelength of λ = 419 nm or λ = 424 nm in CH2Cl2 as the solvent. In the present study, a total of 15 1-aryl-2-nitroethenes were found to undergo a [2 + 2] photocycloaddition with 2,3-dimethyl-2-butene

  尽管环丁烷很重要，但在不存在催化剂的情况下，可用可见光进行的直接[2 + 2]光环加成反应并不多。一个显着的例外是1-芳基-2-硝基乙烯与烯烃的反应，该反应可以在波长为λ= 419 nm或λ= 424 nm的CH2Cl2中作为溶剂进行。在本研究中，发现总共有15个1-芳基-2-硝基乙烯与[2 + 2]与2，3-二甲基-2-丁烯（28-86％的收率）和一组12个烯烃进行光环加成反应。研究了它们在光环加成过程中对1-苯基-2-硝基乙烯的收率（37-88％）。所有的机理结果均与三重反应途径和1，4-双自由基的中间体一致。
• Transition Metal-Free Oxidative Cross-Coupling Reaction of Activated Olefins with <i>N</i>-Alkyl Amides
  作者：Miaomiao Li、Lei Zheng、Li Ma、Yunfeng Chen

  DOI：10.1021/acs.joc.0c02837

  日期：2021.3.5

  The K2S2O8-mediated transition metal-free oxidative cross-coupling reaction of activated olefins with N-alkyl amides was developed, and the reaction gave N-allylic amides in moderate to good yield. This reaction protocol was suitable for different kinds of activated olefins.

  进行了K 2 S 2 O 8介导的活化烯烃与N-烷基酰胺的无过渡金属氧化交叉偶联反应，该反应以中等至良好的收率得到了N-烯丙基酰胺。该反应方案适用于不同种类的活化烯烃。
• Anionic Triflyldiazomethane: Generation and Its Application for Synthesis of Pyrazole-3-triflones via [3 + 2] Cycloaddition Reaction
  作者：Pulakesh Das、Satoshi Gondo、Etsuko Tokunaga、Yuji Sumii、Norio Shibata

  DOI：10.1021/acs.orglett.7b03664

  日期：2018.2.2

  omethyl)sulfonyl)ethan-1-one with nitroalkenes under basic conditions gave pharmaceutically attractive pyrazole 3-triflones in good to high yields. The generation of anionic triflyldiazomethane species followed by the [3 + 2] cycloaddition reaction with nitroalkenes is proposed for this transformation. 3-(Difluoromethanesulfonyl)pyrazoles were also synthesized by using a previously unknown anionic

  公开了在3-位上含有三氟甲基的吡唑三氟酮的合成。在碱性条件下用硝基烯烃处理2-重氮-1-苯基-2-（（三氟甲基）磺酰基）乙-1-酮，以良好或高收率得到了药学上有吸引力的吡唑3-三氟甲磺酸酯。对于该转化，提出了生成阴离子三重氮重氮甲烷物质，然后与硝基烯烃进行[3 + 2]环加成反应。还通过在类似策略下使用先前未知的阴离子（二氟甲磺酰基）重氮甲烷物质合成了3-（二氟甲磺酰基）吡唑。
• Amine derivative with potassium channel regulatory function, its preparation and use
  申请人：——

  公开号：US20040266822A1

  公开（公告）日：2004-12-30

  The present invention provides amine derivatives represented by formula I, its isomers, racemes or optical isomers, pharmaceutical salts thereof, its amides or esters, pharmaceutical compositions containing said compounds and the preparation methods thereof. The invention also relates to the use of the above mentioned compounds in the preparation of drugs for the prophylaxis or treatment of cardiovascular diseases, diabetes, bronchial and urinary smooth muscle spasm as well as ischemic and anoxic nerve injury. The above compounds can be used to treat hypertension, angina diaphragmatic, myocardial infarction, congestive heart failure, arrhythmia, diabetes, spasmodic bronchial diseases, spasmodic bladder or ureter diseases, and depression. 1

  本发明提供了由式I表示的胺衍生物，其异构体、拉克酸盐或光学异构体，其酰胺或酯，以及含有该化合物的制药组合物及其制备方法。本发明还涉及上述化合物在预防或治疗心血管疾病、糖尿病、支气管和尿道平滑肌痉挛以及缺血性和缺氧性神经损伤的药物制剂中的应用。上述化合物可用于治疗高血压、心绞痛、心肌梗死、充血性心力衰竭、心律失常、糖尿病、痉挛性支气管疾病、痉挛性膀胱或输尿管疾病以及抑郁症。
• Heteroaryl substituted triazole modulators of metabotropic glutamate receptor-5
  申请人：Cosford D.P. Nicholas

  公开号：US20050020585A1

  公开（公告）日：2005-01-27

  Triazole compounds substituted directly, or by a bridge, with a heteroaryl moiety containing N adjacent to the point of connection of the heteroaryl which are metabotropic glutamate receptor—subtype 5 (“mGluR5”) modulators useful in the treatment of psychiatric and mood disorders such as, for example, schizophrenia, anxiety, depression, bipolar disorder and panic, as well as in the treatment of pain, Parkinson's disease, cognitive dysfunction, epilepsy, circadian rhythm disorders, drug addiction, drug abuse, drug withdrawal and other diseases.

  直接或通过桥连基取代的三唑化合物，其杂环芳基团含有与杂环芳基连接点相邻的N，可作为代谢型谷氨酸受体亚型5（“mGluR5”）调节剂，用于治疗精神和情绪障碍，例如精神分裂症、焦虑症、抑郁症、双相障碍和惊恐症，以及用于治疗疼痛、帕金森病、认知功能障碍、癫痫、昼夜节律紊乱、药物成瘾、药物滥用、药物戒断和其他疾病。