(2E)-3-(4-methoxyphenyl)-3-oxo-2-(phenylhydrazinylidene)propanal | 60083-35-4

• 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: (2E)-3-(4-methoxyphenyl)-3-oxo-2-(phenylhydrazinylidene)propanal
• CAS: 60083-35-4
• 化学式: C₁₆H₁₄N₂O₃
• 分子量: 282.299
• InChiKey: QVJOCFCLSXUXIR-OBGWFSINSA-N

物化性质

• 熔点：
  139-140 °C(Solv: acetonitrile (75-05-8))
• 沸点：
  456.0±47.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.54
• 重原子数：
  21.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  67.76
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (2E)-3-(4-methoxyphenyl)-3-oxo-2-(phenylhydrazinylidene)propanal 以 乙腈 为溶剂， 反应 0.17h， 生成 3-(4-methoxybenzoyl)cinnoline
  参考文献：
  名称：

  有机合成中的气相热解。第 3 部分：将 2-芳基肼基丙醛环化为 cinnolines1

  摘要：

  3-oxo-3-aryl-2-arylhydrazonopropanals (1) 已在热气相条件下干净地转化为 cinnolines (2)。基于动力学和反应产物，提出了一种合理的机制来解释这种转变。© 2001 John Wiley & Sons, Inc. Int J Chem Kinet 33: 402–406, 2001

  DOI：

  10.1002/kin.1035
• 作为产物：
  描述：

  氯化重氮苯 、 3-(二甲基氨基)-1-(4-甲氧基苯基)-2-丙烯-1-酮 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 1.0h， 生成 (2E)-3-(4-methoxyphenyl)-3-oxo-2-(phenylhydrazinylidene)propanal 、 3-(4-methoxyphenyl)-3-oxo-2-(phenylhydrazono)propanal
  参考文献：
  名称：

  从芳基甲基酮高效合成3-芳基肉桂啉

  摘要：

  描述了从合适的芳基甲基酮开始的3-芳基肉桂啉的有效合成。将后者分两步转化为相应的3-氧代-3-芳基-2-芳基肼基丙醛，其在浓盐酸中经酸催化环化。硫酸或多磷酸（PPA）生成相应的3-aroylcinnolines。

  DOI：

  10.1016/s0040-4020(00)01141-8

文献信息

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

  公开号：EP2558577B1

  公开（公告）日：2018-12-12
• 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.
• Efficient synthesis of 3-aroylcinnolines from aryl methyl ketones
  作者：Nouria A Al-Awadi、Mohamed Hilmy Elnagdi、Yehia A Ibrahim、Kamini Kaul、Ajith Kumar

  DOI：10.1016/s0040-4020(00)01141-8

  日期：2001.2

  An efficient synthesis of 3-aroylcinnolines starting from the appropriate aryl methyl ketones is described. The latter were converted in two steps to the corresponding 3-oxo-3-aryl-2-arylhydrazonopropanals, which upon acid catalyzed cyclization in conc. sulfuric acid or polyphosphoric acid (PPA) led to the corresponding 3-aroylcinnolines.

  描述了从合适的芳基甲基酮开始的3-芳基肉桂啉的有效合成。将后者分两步转化为相应的3-氧代-3-芳基-2-芳基肼基丙醛，其在浓盐酸中经酸催化环化。硫酸或多磷酸（PPA）生成相应的3-aroylcinnolines。
• Gas-phase pyrolysis in organic synthesis. Part 3: Novel cyclization of 2-arylhydrazonopropanals into cinnolines1
  作者：Ajith Kumar、Nouria A. Al-Awadi、Mohamed H. Elnagdi、Yehia A. Ibrahim、Kamini Kaul

  DOI：10.1002/kin.1035

  日期：2001.7

  3-oxo-3-aryl-2-arylhydrazonopropanals (1) have been converted under thermal gas-phase conditions cleanly into cinnolines (2). A plausible mechanism is suggested to account for this transformation based on the kinetics and products of reaction. © 2001 John Wiley & Sons, Inc. Int J Chem Kinet 33: 402–406, 2001

  3-oxo-3-aryl-2-arylhydrazonopropanals (1) 已在热气相条件下干净地转化为 cinnolines (2)。基于动力学和反应产物，提出了一种合理的机制来解释这种转变。© 2001 John Wiley & Sons, Inc. Int J Chem Kinet 33: 402–406, 2001