2-丙烯醛,3-氯-3-(4-硝基苯基)-,(E)- | 106098-40-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂醛
• 中文名称: 2-丙烯醛,3-氯-3-(4-硝基苯基)-,(E)-
• 英文名称: (E)-β-chloro-p-nitrocinnamaldehyde
• 英文别名: 3-chloro-3-(4-nitrophenyl)acrylaldehyde；(E)-3-chloro-3-(4-nitrophenyl)-2-propenal；(E)-3-chloro-3-(4-nitrophenyl)prop-2-enal
• CAS: 106098-40-2
• 化学式: C₉H₆ClNO₃
• 分子量: 211.605
• InChiKey: KVPVZOJJVXTLKN-WEVVVXLNSA-N

物化性质

• 熔点：
  75-76 °C(Solv: dichloromethane (75-09-2))
• 沸点：
  329.3±30.0 °C(Predicted)
• 密度：
  1.371±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  62.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-(4-硝基苯基)-2-丙炔-1-醇 在 四氟硼酸-二乙醚络合物 、 三甲基氯硅烷 、 2,2,6,6-四甲基哌啶氧化物 、 碘苯二乙酸 作用下， 以 2-甲基四氢呋喃 、 二氯甲烷 为溶剂， 反应 3.0h， 生成 (Z)-3-氯-3-(4-硝基苯基)丙烯醛 、 2-丙烯醛,3-氯-3-(4-硝基苯基)-,(E)-
  参考文献：
  名称：

  Synthesis of (Z)-β-halo α,β-unsaturated carbonyl systems via the combination of halotrimethylsilane and tetrafluoroboric acid

  摘要：

  通过对炔酮进行HX的共轭加成，已开发出一种β-卤乙烯衍生物的立体选择性合成方法。

  DOI：

  10.1039/c8ob02110d

文献信息

• Ring and side chain formylated pyrazoles from acetophenone azines and Vilsmeier's reagent
  作者：Ramaiyan Manikannan、Shanmugam Muthusubramanian

  DOI：10.1002/jhet.576

  日期：2011.5

  Differently substituted acetophenone azines on treatment with excess phosphorous oxychloride in N,N‐dimethylformamide have found to yield three products in each case. An acceptable mechanism has been suggested for the formation of all the three products. J. Heterocyclic Chem., (2011).

  发现在N，N-二甲基甲酰胺中用过量的三氯氧化磷处理的不同取代的苯乙酮嗪在每种情况下均会产生三种产物。对于所有三种产物的形成，已经提出了可接受的机理。J.杂环化​​学。（2011）。
• Bi-functional complexes and methods for making and using such complexes
  申请人：Gouliaev Alex Haahr

  公开号：US11225655B2

  公开（公告）日：2022-01-18

  The present invention is directed to a method for the synthesis of a bi-functional complex comprising a molecule part and an identifier oligonucleotide part identifying the molecule part. A part of the synthesis method according to the present invention is preferably conducted in one or more organic solvents when a nascent bi-functional complex comprising an optionally protected tag or oligonucleotide identifier is linked to a solid support, and another part of the synthesis method is preferably conducted under conditions suitable for enzymatic addition of an oligonucleotide tag to a nascent bi-functional complex in solution.

  本发明涉及一种合成双功能复合物的方法，该复合物包括分子部分和识别分子部分的识别寡核苷酸部分。根据本发明的合成方法的一部分优选在一种或多种有机溶剂中进行，此时包含可选保护标签或寡核苷酸标识符的新生双功能复合物与固体支持物相连接，合成方法的另一部分优选在适合于将寡核苷酸标签酶加到溶液中的新生双功能复合物的条件下进行。
• Nucleophilic attacks on carbon-carbon double bonds. 33. Approaching the retention region from the stereoconvergence region in nucleophilic substitution of (E)- and (Z)-methyl p-substituted .alpha.-formyl- and .alpha.-(tert-butoxycarbonyl)-.beta.-halocinnamates
  作者：Zvi Rappoport、Aviv Gazit

  DOI：10.1021/jo00372a005

  日期：1986.10
• BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES
  申请人：Nuevolution A/S

  公开号：EP2558577A1

  公开（公告）日：2013-02-20
• BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES
  申请人：Gouliaev Alex Haahr

  公开号：US20130281324A1

  公开（公告）日：2013-10-24

  The present invention is directed to a method for the synthesis of a bi-functional complex comprising a molecule part and an identifier oligonucleotide part identifying the molecule part. A part of the synthesis method according to the present invention is preferably conducted in one or more organic solvents when a nascent bi-functional complex comprising an optionally protected tag or oligonucleotide identifier is linked to a solid support, and another part of the synthesis method is preferably conducted under conditions suitable for enzymatic addition of an oligonucleotide tag to a nascent bi-functional complex in solution.