N-(1-ethoxy-2,2-dimethylpropyl)thiobenzamide

• 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: N-(1-ethoxy-2,2-dimethylpropyl)thiobenzamide
• 英文别名: N-(1-ethoxy-2,2-dimethylpropyl)benzenecarbothioamide
• 化学式: C₁₄H₂₁NOS
• 分子量: 251.393
• InChiKey: PACWIJDSANCESH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  53.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-tert-Butyl-5-phenyl-3H-[1,2,4]thiaselenazole 在 1,2,3,4,5,6,7,8-八硫杂环辛烷 、 三苯基膦 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 15.0h， 生成 N-(1-ethoxy-2,2-dimethylpropyl)thiobenzamide
  参考文献：
  名称：

  Synthesis of 1,2,4-dichalcogenazoles by the reaction of 6H-1,3,5-oxachalcogenazines with elemental chalcogen

  摘要：

  A series of 1,2,4-dichalcogenazoles were synthesized by the reaction of 6H-1,3,5-oxachalcogenazines with elemental chalcogen through the plausible pathway involving in situ generation of 1,3-chalcogenaza-1,3-butadienes and the subsequent reaction with chalcogen species. Synthetic utilities of 1,2,4-dichalcogenazoles were also explored. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.05.156

文献信息

• Synthetic applications of 3H-1,2,4-dithiazoles: Structure and reactivity studies
  作者：Md. Rafiqul Islam、Yuji Takikawa、Kwon Taek Lim

  DOI：10.1002/hc.20764

  日期：——

  Synthetic applications of 3H-1,2,4-dithiazoles have been studied extensively. The facile synthesis of hitherto unknown 3H-1,2,4-dithiazole S-oxides was realized by the mCPBA oxidation of 3H-1,2,4-dithiazoles. The structural information of the 1,2,4-dichalcogenazole ring system was revealed by the ORTEP analysis of 3-tert-butyl-5-4-chloro-phenyl-3H-1,2,4-dithiazole S-oxide. The reactivities of 3H-1

  3H-1,2,4-二噻唑的合成应用已得到广泛研究。迄今为止未知的 3H-1,2,4-二噻唑 S-氧化物的简便合成是通过 3H-1,2,4-二噻唑的 mCPBA 氧化实现的。3-叔丁基-5-4-氯-苯基-3H-1,2,4-二噻唑S-氧化物的ORTEP 分析揭示了1,2,4-二硫属元素唑环系统的结构信息。还讨论了 3H-1,2,4-二噻唑的反应性。© 2011 Wiley Periodicals, Inc. 杂原子化学 23:154–159, 2012; 在 wileyonlinelibrary.com 上在线查看这篇文章。DOI 10.1002/hc.20764
• Novel conversion of 6H-1,3,5-oxathiazineS-oxides into 5-membered heterocyclic compounds
  作者：Islam Md. Rafiqul、Kazuaki Shimada、Shigenobu Aoyagi、Yuji Takikawa、Chizuko Kabuto

  DOI：10.1002/hc.20004

  日期：——

  5H-1,2,4-oxathiazoles were efficiently synthesized from 6H-1,3,5-oxathiazine S-oxides by thermal cycloreversion of the substrates and the products were effectively converted into 1,2,4-thiadiazoles. © 2004 Wiley Periodicals, Inc. Heteroatom Chem 15:175–186, 2004; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/hc.20004

  6H-1,3,5-恶噻嗪S-氧化物通过底物的热循环转化有效地合成了5H-1,2,4-恶噻唑，产物有效地转化为1,2,4-噻二唑。© 2004 Wiley Periodicals, Inc. 杂原子化学 15:175–186, 2004; 在线发表于 Wiley InterScience (www.interscience.wiley.com)。DOI 10.1002/hc.20004
• Generation of 1,3-Chalcogenaza-1,3-butadienes by Thermal Cycloreversion of 2,4,6-Trisubstituted 6<b><i>H</i></b>-1,3,5-Oxachalcogenazines
  作者：Kazuaki Shimada、Kei Aikawa、Takuji Fujita、Masanobu Sato、Kurara Goto、Shigenobu Aoyagi、Yuji Takikawa、Chizuko Kabuto

  DOI：10.1246/bcsj.74.511

  日期：2001.3

  1,3-Thiaza- and 1,3-selenaza-1,3-butadienes bearing several substituents at the C-2 and C-4 positions were generated through thermal cycloreversion of 6H-1,3,5-oxathiazines or 6H-1,3,5-oxaselenazines, respectively, and the heterodienes were efficiently trapped by using acetylenic dienophiles. When 6H-1,3,5-oxathiazines or 6H-1,3,5-oxaselenazines were heated in the presence of nucleophiles, such as alcohols or thiols, the corresponding 1,4-adducts of the heterodienes with the nucleophiles were obtained in good yields. On the other hand, heating of 6H-1,3,5-oxathiazines or 6H-1,3,5-oxaselenazines in the absence of trapping agents afforded several products which originated from the in situ generated 1,3-chalcogenaza-1,3-butadienes; also the heterodienes were not isolated or observed directly as the monomeric forms at all.

  1,3-硫杂和1,3-硒杂-1,3-丁二烯在C-2和C-4位置上带有多个取代基，分别通过6H-1,3,5-氧杂噻唑烷或6H-1,3,5-氧杂硒唑的热循环反转生成，且这些杂二烯被炔烃二烯亲核试剂有效捕获。当6H-1,3,5-氧杂噻唑烷或6H-1,3,5-氧杂硒唑在醇类或硫醇等亲核试剂存在的情况下加热时，得到了相应的杂二烯与亲核试剂的1,4-加成产物，产率良好。另一方面，在没有捕获试剂的情况下加热6H-1,3,5-氧杂噻唑烷或6H-1,3,5-氧杂硒唑时，获得了多个产物，这些产物源于原位生成的1,3-酮硫杂-1,3-丁二烯；同时，杂二烯也没有以单体形式被分离或直接观察到。
• Synthesis of 1,2,4-dichalcogenazoles by the reaction of 6H-1,3,5-oxachalcogenazines with elemental chalcogen
  作者：Islam Md Rafiqul、Kazuaki Shimada、Shigenobu Aoyagi、Yoriko Fujisawa、Yuji Takikawa

  DOI：10.1016/j.tetlet.2004.05.156

  日期：2004.8

  A series of 1,2,4-dichalcogenazoles were synthesized by the reaction of 6H-1,3,5-oxachalcogenazines with elemental chalcogen through the plausible pathway involving in situ generation of 1,3-chalcogenaza-1,3-butadienes and the subsequent reaction with chalcogen species. Synthetic utilities of 1,2,4-dichalcogenazoles were also explored. (C) 2004 Elsevier Ltd. All rights reserved.