4-ethylphenylglyoxal | 14333-92-7

• 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: 4-ethylphenylglyoxal
• 英文别名: 2-(4-Ethylphenyl)-2-oxoacetaldehyde
• CAS: 14333-92-7
• 化学式: C₁₀H₁₀O₂
• 分子量: 162.188
• InChiKey: HLTFZGSMPSHRDT-UHFFFAOYSA-N

物化性质

• 熔点：
  93-95 °C
• 沸点：
  101-104 °C(Press: 14 Torr)
• 密度：
  1.073±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-ethylphenylglyoxal 在 tert-butylammonium hexafluorophosphate(V) 作用下， 以 水 、 1,2-二氯乙烷 为溶剂， 反应 3.0h， 生成 1-(4-ethylphenyl)-3-phenylprop-2-yn-1-one
  参考文献：
  名称：

  Ynonylation of Acyl Radicals by Electroinduced Homolysis of 4-Acyl-1,4-dihydropyridines

  摘要：

  DOI：

  10.1021/acs.orglett.1c01243
• 作为产物：
  描述：

  对乙基苯乙酮 在 碘 作用下， 以 二甲基亚砜 为溶剂， 生成 4-ethylphenylglyoxal
  参考文献：
  名称：

  I2和Zn连续促进芳基甲基酮的形式[3+2]环加成：获得具有季碳中心的2-羟基-4-吗啉-2,5-二芳基呋喃-3(2H)-酮

  摘要：

  以简单易得的甲基酮和吗啉为原料，使用碘和锌粉依次构建了2-羟基-4-吗啉-2,5-二芳基呋喃-3(2H ) -酮衍生物。在温和条件下，C-C、C-N 和 C-O 键在一锅合成中形成。成功构建了季碳中心，并将活性药物片段吗啉引入到分子中。

  DOI：

  10.1021/acs.joc.3c00885

文献信息

• [EN] 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS<br/>[FR] UTILISATION DE COMPOSES HETEROARYLES A SUBSTITUTION 3-ALKYLIDENEHYDRAZINO EN TANT QU'ACTIVATEURS DU RECEPTEUR DE LA THROMBOPOIETINE
  申请人：NISSAN CHEMICAL IND LTD

  公开号：WO2004108683A1

  公开（公告）日：2004-12-16

  A compound represented by the formula (1): wherein A is a nitrogen atom or CR4, B is an oxygen atom, a sulfur atom or NR9 (provided that when A is a nitrogen atom, B is not NH), R1 is a C2-14; aryl group, L1 is a bond, CR10R11, an oxygen atom, a sulfur atom or NR12, X is OR13, SR13 or NR14NR15, R2 is a hydrogen atom, a formyl group, a C1-10; alkyl group or the like, L2 is a bond or the like, L3 is a bond, CR17R18, an oxygen atom, a sulfur atom or NR19, L4 is a bond, CR20R21, an oxygen atom, a sulfur atom or NR22, Y is an oxygen atom, a sulfur atom or NR23, and R3 is a C2-14; aryl group, a tautomer, prodrug or pharmaceutically acceptable salt of the compound or a solvate thereof.

  化合物的结构式（1）如下：其中A是氮原子或CR4，B是氧原子、硫原子或NR9（但当A是氮原子时，B不是NH），R1是C2-14芳基，L1是键，CR10R11、氧原子、硫原子或NR12，X是OR13、SR13或NR14NR15，R2是氢原子、甲酰基、C1-10烷基或类似物，L2是键或类似物，L3是键，CR17R18、氧原子、硫原子或NR19，L4是键，CR20R21、氧原子、硫原子或NR22，Y是氧原子、硫原子或NR23，R3是C2-14芳基、化合物的互变异构体、前药或药学上可接受的盐或其溶剂化合物。
• Iodine-mediated oxidative annulation for one-pot synthesis of pyrazines and quinoxalines using a multipathway coupled domino strategy
  作者：K. K. Durga Rao Viswanadham、Muktapuram Prathap Reddy、Pochampalli Sathyanarayana、Owk Ravi、Ruchir Kant、Surendar Reddy Bathula

  DOI：10.1039/c4cc05844e

  日期：——

  iodine-mediated oxidative annulation of aryl acetylenes-arylethenes-aromatic ketones with 1,2-diamines for the synthesis of pyrazines and regioselective synthesis of quinoxalines is presented. A multipathway coupled domino approach has been developed for the one-pot synthesis of 1,4-diazines with high functional group compatibility.

  提出了一种有效的碘介导的芳基乙炔-芳烃-芳族酮与1,2-二胺的氧化环合反应，用于吡嗪合成和区域选择性合成喹喔啉。已开发出一种多途径偶联多米诺骨牌方法，用于一锅法合成具有高官能团相容性的1,4-二嗪。
• Base-Controlled Reactions through an Aldol Intermediate Formed between 2-Oxoaldehydes and Malonate Half Esters
  作者：Atul Kumar、Shahnawaz Khan、Qazi Naveed Ahmed

  DOI：10.1021/acs.orglett.7b02016

  日期：2017.9.15

  atom-economical, base-directed, and highly efficient method for the generation of different selective products through a common aldol intermediate of 2-oxoaldehydes and malonate half esters is successfully developed. The addition of a strong basic environment (potassium tert-butoxide) catalyzed the synthesis of stable decarboxylative aldol products (α-hydroxy ketones), while the Doebner modification procedure

  通过2-氧醛和丙二酸酯半酯的普通羟醛中间体成功地开发了一种实用，原子经济，碱基和高效的方法，用于生成不同的选择性产物。添加强碱性环境（叔丁醇钾）可催化合成稳定的脱羧醛醇产物（α-羟基酮），而Doebner改性程序可将脱羧消除为良好的（E）-α，β-不饱和酯产量。该方法与唑类在一锅一锅/两步中的应用有助于开发出具有一定产率的区域选择性α-和β-偶氮化产物。
• HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS
  申请人：OWADA Shingo

  公开号：US20080027068A1

  公开（公告）日：2008-01-31

  A compound represented by the formula (1): wherein A is a nitrogen atom or CR 4 , B is an oxygen atom, a sulfur atom or NR 9 (provided that when A is a nitrogen atom, B is not NH), R 1 is a C 2-14 aryl group, L 1 is a bond, CR 10 R 11 , an oxygen atom, a sulfur atom or NR 12 , X is OR 13 , SR 13 or NR 14 NR 15 , R 2 is a hydrogen atom, a formyl group, a C 1-10 alkyl group or the like, L 2 is a bond or the like, L 3 is a bond, CR 17 R 18 , an oxygen atom, a sulfur atom or NR 19 , L 4 is a bond, CR 20 R 21 , an oxygen atom, a sulfur atom or NR 22 , Y is an oxygen atom, a sulfur atom or NR 23 , and R 3 is a C 2-14 aryl group, a tautomer, prodrug or is pharmaceutically acceptable salt of the compound or a solvate thereof.

  化合物的化学式为（1）：其中A是氮原子或CR4，B是氧原子、硫原子或NR9（但当A是氮原子时，B不是NH），R1是C2-14芳基基团，L1是键，CR10R11、氧原子、硫原子或NR12，X是OR13、SR13或NR14NR15，R2是氢原子、甲酰基、C1-10烷基或类似物，L2是键或类似物，L3是键，CR17R18、氧原子、硫原子或NR19，L4是键，CR20R21、氧原子、硫原子或NR22，Y是氧原子、硫原子或NR23，R3是C2-14芳基基团，化合物的互变异构体、前药或药学上可接受的盐或其溶剂。
• Heterocyclic compounds and thrombopoietin receptor activators
  申请人：Nissan Chemical Industries, Ltd.

  公开号：US07576115B2

  公开（公告）日：2009-08-18

  A compound represented by the formula (1): wherein A is a nitrogen atom or CR4, B is an oxygen atom, a sulfur atom or NR9 (provided that when A is a nitrogen atom, B is not NH), R1 is a C2-14 aryl group, L1 is a bond, CR10R11, an oxygen atom, a sulfur atom or NR12, X is OR13, SR13 or NR14NR15, R2 is a hydrogen atom, a formyl group, a C1-10 alkyl group or the like, L2 is a bond or the like, L3 is a bond, CR17R18, an oxygen atom, a sulfur atom or NR19, L4 is a bond, CR20R21, an oxygen atom, a sulfur atom or NR22, Y is an oxygen atom, a sulfur atom or NR23, and R3 is a C2-14 aryl group, a tautomer, prodrug or is pharmaceutically acceptable salt of the compound or a solvate thereof.

  化合物的化学式为（1）：其中A为氮原子或CR4，B为氧原子、硫原子或NR9（但当A为氮原子时，B不为NH），R1为C2-14芳基基团，L1为键，CR10R11、氧原子、硫原子或NR12，X为OR13、SR13或NR14NR15，R2为氢原子、甲酰基、C1-10烷基或类似基团，L2为键或类似物，L3为键，CR17R18、氧原子、硫原子或NR19，L4为键，CR20R21、氧原子、硫原子或NR22，Y为氧原子、硫原子或NR23，R3为C2-14芳基基团、互变异构体、前药或该化合物的药学上可接受的盐或其溶剂化物。