5'-acetyl-6'-methyl-2'-[(2-oxopropyl)thio]-3,4'-bipyridine-3'-carbonitrile | 913961-36-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 5'-acetyl-6'-methyl-2'-[(2-oxopropyl)thio]-3,4'-bipyridine-3'-carbonitrile
• 英文别名: 5-Acetyl-6-methyl-2-(2-oxopropylsulfanyl)-4-pyridin-3-ylpyridine-3-carbonitrile
• CAS: 913961-36-1
• 化学式: C₁₇H₁₅N₃O₂S
• 分子量: 325.391
• InChiKey: BBRCLJLIHVMVKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  109
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5'-acetyl-6'-methyl-2'-[(2-oxopropyl)thio]-3,4'-bipyridine-3'-carbonitrile 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以2.1 g的产率得到1-(2-acetyl-3-amino-6-methyl-4-pyridin-3-ylthieno[2,3-b]pyridin-5-yl)etanone
  参考文献：
  名称：

  Synthesis, Reactions, and Antiviral Activity of 5′-Acetyl-6′-methyl-2′-thioxo-1′,2′-dihydro-3,4′-bipyridine-3′-carbonitrile

  摘要：

  Bipyridine-3'0-carbonitrile derivatives 5 reacted with several halogen containing reagents, e. g., 1-chloroacetone, 3-chloropentan-2,4-dione, ethyl chloroacetate, ethyl 2-chloro-3-oxobutanoate, 2-chloroacetamide, chloroacetonitrile, and iodomethane to afford the correspondingthieno [2,3-b]-pyridine derivatives. Considering the data of IR, H-1 NMR, mass spectra and elemental analysis the chemical structures of the newly synthesized heterocyclic compounds elucidated. Cytotoxicity, anti-HSV1, (anti-Herpes Simplex virus type 1) anti-HAV ( Hepatitis A virus), and MBB activity were evaluated for the newly synthesized heterocyclic compounds.

  DOI：

  10.1080/104265090968398
• 作为产物：
  描述：

  3-吡啶甲醛 在 哌啶 、 sodium methylate 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 6.0h， 生成 5'-acetyl-6'-methyl-2'-[(2-oxopropyl)thio]-3,4'-bipyridine-3'-carbonitrile
  参考文献：
  名称：

  Synthesis, Reactions, and Antiviral Activity of 5′-Acetyl-6′-methyl-2′-thioxo-1′,2′-dihydro-3,4′-bipyridine-3′-carbonitrile

  摘要：

  Bipyridine-3'0-carbonitrile derivatives 5 reacted with several halogen containing reagents, e. g., 1-chloroacetone, 3-chloropentan-2,4-dione, ethyl chloroacetate, ethyl 2-chloro-3-oxobutanoate, 2-chloroacetamide, chloroacetonitrile, and iodomethane to afford the correspondingthieno [2,3-b]-pyridine derivatives. Considering the data of IR, H-1 NMR, mass spectra and elemental analysis the chemical structures of the newly synthesized heterocyclic compounds elucidated. Cytotoxicity, anti-HSV1, (anti-Herpes Simplex virus type 1) anti-HAV ( Hepatitis A virus), and MBB activity were evaluated for the newly synthesized heterocyclic compounds.

  DOI：

  10.1080/104265090968398

文献信息

• Synthesis, Reactions, and Antiviral Activity of 5′-Acetyl-6′-methyl-2′-thioxo-1′,2′-dihydro-3,4′-bipyridine-3′-carbonitrile
  作者：Fawzy A. Attaby、M. A. Ali、A. H. H. Elghandour、Yasser M. Ibrahem

  DOI：10.1080/104265090968398

  日期：2006.1.1

  Bipyridine-3'0-carbonitrile derivatives 5 reacted with several halogen containing reagents, e. g., 1-chloroacetone, 3-chloropentan-2,4-dione, ethyl chloroacetate, ethyl 2-chloro-3-oxobutanoate, 2-chloroacetamide, chloroacetonitrile, and iodomethane to afford the correspondingthieno [2,3-b]-pyridine derivatives. Considering the data of IR, H-1 NMR, mass spectra and elemental analysis the chemical structures of the newly synthesized heterocyclic compounds elucidated. Cytotoxicity, anti-HSV1, (anti-Herpes Simplex virus type 1) anti-HAV ( Hepatitis A virus), and MBB activity were evaluated for the newly synthesized heterocyclic compounds.