(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)(4-chlorophenyl)methanone

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)(4-chlorophenyl)methanone
• 英文别名: 2-(4-Chlorobenzoyl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine；(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone
• 化学式: C₁₆H₁₃ClN₂OS
• 分子量: 316.811
• InChiKey: CNNVQSJKWGITOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  84.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-cyano-2-cyclohexylidenethioacetamide 在 氢氧化钾 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.5h， 生成 (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)(4-chlorophenyl)methanone
  参考文献：
  名称：

  Synthesis of Substituted 1,3-Cyclohexadienes, Pyridine-2(1H)-thiones, and Thieno[2,3-d]pyrimidine- 4(3H)-thiones by the Michael Reaction

  摘要：

  Cyclopentylidene- and cyclohexylidene(cyano)acetamides reacted with malononitrile and cyano-(thioacetamide) according to the Michael pattern with exchange of the methylene components to give substituted 1-amino-2,6,6-tricyano-1,3-cyclohexadienes and thieno[2,3-d]pyrimidine-4(3H)-thiones. Condensation of cyclopentylidene- and cyclohexylidene(cyano)acetamide with 1,3-dicarbonyl compounds afforded 4,6-dimethyl-3-cyanopyridine-2(1H)-thione and morpholinium 4-methyl-6-oxo-3-cyano-1,6-dihydropyridine-2-thiolate which were converted into substituted 2-alkylsulfanylpyridines, thieno[2,3-b]pyridines, thiazolo[3,2-a]pyridine, and 2H-[1,3]thiazino[3,2-a]pyridine.

  DOI：

  10.1023/b:rujo.0000034978.81993.bd

文献信息

• One-Pot Synthesis of Thieno[2,3-b]pyridine and Pyrido[3′,2′:4,5]thieno[3,2-d]pyrimidine Derivatives
  作者：I. V. Dyachenko、V. D. Dyachenko、P. V. Dorovatovsky、V. N. Khrustalev、V. G. Nenajdenko

  DOI：10.1134/s1070428020060020

  日期：2020.6

  2,3-b]pyridines, 8′-ethyl-7′,9′-dimethyl-1′H-spiro[cyclohexane-1,2′-pyrido[3′,2′:4,5]thieno[3,2-d]pyrimidin]-4′(3′H)-one, and 7,8,9-trimethylpyrido[3′,2′:4,5]thieno[3,2-d]pyrimidin-4-amine have been synthesized by one-pot three-component condensation of 3-methyl(ethyl)pentane-2,4-diones with cyanothioacetamide and α-halocarbonyl compounds, cyclohexanone, or formamide. The structures of some of the

  摘要2-酰基-4,5,6-三烷基-3-氨基噻吩并[2,3- b ]吡啶，8'-乙基-7-'，9'-二甲基-1' ħ -螺[环己烷- 1,2' -吡啶并[3'，2'：4,5]噻吩并[3,2- d ]嘧啶] -4'（3' ħ） -酮，和7,8,9- trimethylpyrido [3'，2'：4， 5] thieno [3,2 - d ]嘧啶-4-胺是由3-甲基（乙基）戊烷-2,4-二酮与氰基硫代乙酰胺和α-卤代羰基化合物，环己酮的一锅三组分缩合反应合成的，或甲酰胺。通过X射线分析研究了一些合成的噻吩并[2,3- b ]吡啶衍生物的结构。
• USE OF HONEYBEE REPELLENTS
  申请人：Inscent, Inc.

  公开号：EP2704578B1

  公开（公告）日：2016-08-31
• Honeybee Repellents and Uses Thereof
  申请人：Inscent, Inc.

  公开号：US20140155261A1

  公开（公告）日：2014-06-05

  The present specification discloses honeybee repellents exhibiting repellent properties similar to 2-heptanone, compositions comprising such repellents, uses to repel a honeybee from a mammal, location, plant, structure treated of such repellents, and methods of treating a mammal, location, plant, structure by applying such repellents.
• US9439434B2
  申请人：——

  公开号：US9439434B2

  公开（公告）日：2016-09-13
• [EN] IMPROVED HONEYBEE REPELLENTS AND USES THEREOF<br/>[FR] RÉPULSIFS AMÉLIORÉS CONTRE LES ABEILLES DOMESTIQUES ET LEURS UTILISATIONS
  申请人：INSCENT INC

  公开号：WO2012151556A2

  公开（公告）日：2012-11-08

  The present specification discloses honeybee repellents exhibiting repellent properties similar to 2- heptanone, compositions comprising such repellents, uses to repel a honeybee from a mammal, location, plant, structure treated of such repellents, and methods of treating a mammal, location, plant, structure by applying such repellents.