2-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]-1-(2-naphthyl)ethanone | 676583-80-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]-1-(2-naphthyl)ethanone
• 英文别名: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-naphthalen-2-ylethanone
• CAS: 676583-80-5
• 化学式: C₁₅H₁₃N₃OS
• 分子量: 283.354
• InChiKey: LMFDVASXAHQBDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  73.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]-1-(2-naphthyl)ethanone 在 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 甲醇 、 氘代氯仿 为溶剂， 反应 5.0h， 生成 2-乙烯基萘
  参考文献：
  名称：

  Thermolysis of β-hydroxysulfides bearing several heteroaromatics

  摘要：

  Thermolyses of beta-hydroxysulfides 2, bearing groups, such as 2-benzothiazolyl and 4-(4-methyl)-4H-1,2,4-triazolyI groups, were studied and found to afford the corresponding substituted styrenes 5 and hydroxy heteroaromatics in good yields, respectively. The product distribution change in the course of the thermolysis of 2a was also studied. The olefin products 5a were considered to be formed by the thermal desulfurization of the corresponding thiiranes 4a initially formed via the five-membered spiro intermediate 6a. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.01.043
• 作为产物：
  描述：

  4-甲基-4H-3-巯基-1,2,4-三氮唑 、 alkaline earth salt of/the/ methylsulfuric acid 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以96%的产率得到2-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]-1-(2-naphthyl)ethanone
  参考文献：
  名称：

  Thermolysis of β-hydroxysulfides bearing several heteroaromatics

  摘要：

  Thermolyses of beta-hydroxysulfides 2, bearing groups, such as 2-benzothiazolyl and 4-(4-methyl)-4H-1,2,4-triazolyI groups, were studied and found to afford the corresponding substituted styrenes 5 and hydroxy heteroaromatics in good yields, respectively. The product distribution change in the course of the thermolysis of 2a was also studied. The olefin products 5a were considered to be formed by the thermal desulfurization of the corresponding thiiranes 4a initially formed via the five-membered spiro intermediate 6a. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.01.043

文献信息

• Thermolysis of β-hydroxysulfides bearing several heteroaromatics
  作者：Nobuhiko Yamada、Masayoshi Mizuochi、Hiroyuki Morita

  DOI：10.1016/j.tet.2007.01.043

  日期：2007.4

  Thermolyses of beta-hydroxysulfides 2, bearing groups, such as 2-benzothiazolyl and 4-(4-methyl)-4H-1,2,4-triazolyI groups, were studied and found to afford the corresponding substituted styrenes 5 and hydroxy heteroaromatics in good yields, respectively. The product distribution change in the course of the thermolysis of 2a was also studied. The olefin products 5a were considered to be formed by the thermal desulfurization of the corresponding thiiranes 4a initially formed via the five-membered spiro intermediate 6a. (c) 2007 Elsevier Ltd. All rights reserved.