2-乙炔基-N-甲基苯甲酰胺 | 139334-73-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-乙炔基-N-甲基苯甲酰胺
• 英文名称: 2-Ethynyl-N-methyl-benzamide
• 英文别名: 2-Ethynyl-N-methylbenzamide
• CAS: 139334-73-9
• 化学式: C₁₀H₉NO
• 分子量: 159.188
• InChiKey: YHWZIQBCFNNEJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-乙炔基-N-甲基苯甲酰胺 在 potassium tert-butylate 作用下， 以 四氢呋喃 、 二甲基亚砜 为溶剂， 反应 5.0h， 以94%的产率得到1-methylene-2-methyl-2,3-dihydro-3-oxo-1H-isoindole
  参考文献：
  名称：

  Selective cyclization of alkynols and alkynylamines catalyzed by potassium tert-butoxide

  摘要：

  DOI：

  10.1016/j.tet.2014.06.078
• 作为产物：
  描述：

  2-乙炔基苯甲醛 在 三氟甲磺酸三甲基硅酯 作用下， 生成 2-乙炔基-N-甲基苯甲酰胺
  参考文献：
  名称：

  On the synthesis of isoannulated pyrroles and δ-pyridones

  摘要：

  The synthesis of furo- and thieno[2,3-c]pyridones 13a,b as well as the corresponding pyrroles 14a,b by using the 1,7-dipolar cyclization route of conjugated nitrones 9a,b is reported. In the presence of O2 and light the pyridones are converted into the pyridinediones 17a,b.

  DOI：

  10.1016/s0040-4039(00)77673-8

文献信息

• Nematicidal Activities of Diamides with Diphenylacetylene Scaffold Against Meloidogyne Incognita
  作者：Jiling Li、Zhicheng Zhang、Xiaoyong Xu、Xusheng Shao、Zhong Li

  DOI：10.1071/ch15065

  日期：——

  With the goal of searching for new potential nematicides with high activity and low toxicity, new molecules are needed as potential prototypes for the synthesis of new nematicidal compounds. A series of novel diamides based on diphenylacetylene scaffold were designed and synthesised. The conformation of the amide was restricted through the ten-membered H-bonded ring. Their structures were characterised by 1H NMR, 13C NMR, 19F NMR, and high-resolution mass spectrometry. The preliminary bioassays evaluated against Meloidogyne Incognita indicated that most of the title compounds were endowed with moderate-to-good activities at the concentration of 25 mg L–1. In particular, compounds 9a, 9c, 9g, 9h, 9k, and 9l displayed >50 % nematicidal activity at 5 mg L–1. It is possible that the novel diamides with diphenylacetylene scaffold, which possess good nematicidal activities, provide distinct nematicidal chemotypes that can be used as leads for further optimisation.

  为了寻找高活性、低毒性的新型潜在杀线虫剂，需要新的分子作为合成新型杀线虫化合物的潜在原型。我们设计并合成了一系列基于二苯基乙炔支架的新型二酰胺。通过十元 H 键环限制了酰胺的构象。它们的结构通过 1H NMR、13C NMR、19F NMR 和高分辨率质谱进行了表征。对 Meloidogyne Incognita 的初步生物测定表明，在 25 mg L-1 的浓度下，大多数标题化合物都具有中等至良好的活性。其中，化合物 9a、9c、9g、9h、9k 和 9l 在 5 mg L-1 浓度下具有 50 % 的杀线虫活性。具有二苯基乙炔支架的新型二酰胺类化合物具有良好的杀线虫活性，可能提供了独特的杀线虫化学型，可作为进一步优化的线索。
• Cyanomethyl substituted N-Acyl Tryptamines
  申请人：Bayer Schering Pharma Aktiengesellschaft

  公开号：EP2020404A1

  公开（公告）日：2009-02-04

  The present invention relates to cyanomethyl substituted N-acyl tryptamines of the formula I in which R1, R2, R3, R4, R5, Q, X and W have the meaning as defined in the description. The compounds according to the invention are effective FSH antagonists and can be used for example for fertility control in men or in women, or for the prevention and/or treatment of osteoporosis.

  本发明涉及具有以下结构的氰甲基取代的N-酰基色胺化合物，其中R1、R2、R3、R4、R5、Q、X和W的含义如描述中所定义。根据本发明的化合物是有效的FSH拮抗剂，可用于男性或女性的生育控制，或用于骨质疏松症的预防和/或治疗。
• Selective cyclization of alkynols and alkynylamines catalyzed by potassium tert-butoxide
  作者：Deng Yuan Li、Ke Ji Shi、Xiao Feng Mao、Zheng Le Zhao、Xin Yan Wu、Pei Nian Liu

  DOI：10.1016/j.tet.2014.06.078

  日期：2014.9
• On the synthesis of isoannulated pyrroles and δ-pyridones
  作者：Wolfgang Eberbach、Norbert Laber

  DOI：10.1016/s0040-4039(00)77673-8

  日期：1992.1

  The synthesis of furo- and thieno[2,3-c]pyridones 13a,b as well as the corresponding pyrroles 14a,b by using the 1,7-dipolar cyclization route of conjugated nitrones 9a,b is reported. In the presence of O2 and light the pyridones are converted into the pyridinediones 17a,b.