2-氰基-2-五氟苯基丁酸乙酯 | 68597-71-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机次磺酸及其衍生物
• 中文名称: 2-氰基-2-五氟苯基丁酸乙酯
• 英文名称: N-(tert-butylthio)-tert-butylamine
• 英文别名: N-t-butyl t-butylsulfenamide；N-tert-butylsulfanyl-2-methylpropan-2-amine
• CAS: 68597-71-7
• 化学式: C₈H₁₉NS
• 分子量: 161.312
• InChiKey: YZDFDOWHXGNIHF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-氰基-2-五氟苯基丁酸乙酯 350.4 ℃ 、1.96 kPa 条件下， 生成 异丁烷 、 N-tert-butylthiohydroxylamine 、 异丁烯
  参考文献：
  名称：

  Gas-phase thermolysis oft-butylsulfenamides:N, N-dimethylt-butylsulfenamide, 2,6-dimethylpiperidinylt-butylsulfenamide, andN-t-butylt-butylsulfenamide

  摘要：

  The amide derivatives of t-butylsulfenic acid mentioned in the title have been thermolyzed in a stirred-flow reactor at temperatures of 273-390 degrees C and pressures of 7- 15 torr, using toluene as carrier gas, at residence times of 0.4-2 s. Isobutene formed in 95-99% yields, through order one reactions, following the Arrhenius equations: N,N-dimethyl t-butylsulfenamide:k(s(-1)) = 10(14.45+/-0.46) exp(-175 +/- 5 kj/molRT)2,6-dimethylpiperidyl t-butylsulfenamide:k(s(-1)) = 10(14.38+/-0.26) exp(-161 +/- 3 kj/molRT)N-t-butyl t-butylsulfenamide:k(s(-1)) = 10(14.75+/-0.37) exp(-184 +/- 7 kj/molRT)These thermolyses are considered to take place through unimolecular, four-center cyclic transition-state reaction mechanisms, giving rise to isobutene plus the corresponding S-unsubstituted thiohydroxylamines. The latter decompose outside the reactor at temperatures above -78 degrees C forming free sulfur and dimethylamine. 2,6-dimethylpiperidine, and t-butylamine, respectively. (C) 1996 John Wiley & Sons, Inc.

  DOI：

  10.1002/(sici)1097-4601(1996)28:5<353::aid-kin4>3.0.co;2-u
• 作为产物：
  描述：

  1,1-dimethylethanesulfenyl chloride 、 叔丁胺 以 乙醚 为溶剂， 反应 1.0h， 生成 2-氰基-2-五氟苯基丁酸乙酯
  参考文献：
  名称：

  N-烷基-N-（烷硫基）氨基的电子自旋共振研究

  摘要：

  DOI：

  10.1021/j100241a020

文献信息

• Composition and method of producing siliceous film
  申请人：TOKYO OHKA KOGYO CO., LTD.

  公开号：US10364372B2

  公开（公告）日：2019-07-30

  A composition capable of stably providing a high-quality siliceous film even under relatively low-temperature heating conditions, and a method of using the composition for forming a siliceous film. The composition includes a polysilazane and an imidazole group-containing compound represented by Formula (B).

  一种即使在相对低温的加热条件下也能稳定提供高质量硅薄膜的组合物，以及一种使用该组合物形成硅薄膜的方法。该组合物包括一种聚硅氧烷和一种由式（B）表示的含咪唑基团的化合物。
• Silica-based film-forming composition, method of producing substrate including silica-based film, and additive added to silica-based film-forming composition
  申请人：Tokyo Ohka Kogyo Co., Ltd.

  公开号：US11111397B2

  公开（公告）日：2021-09-07

  To provide a silica-based film-forming composition, which can form a homogeneous silica-based film, a method of producing a substrate including a silica-based film using the composition, and an additive agent to be added to a silica-based film-forming composition. In a silica-based film-forming composition including a polysilazane (A) and a solvent (S), a nitrogen-containing polar organic solvent is included as the solvent (S). In addition, the composition including a polysilazane (A) and a nitrogen-containing polar organic solvent as the solvent (S) is coated onto the surface of a substrate to form a coated film, which is then baked to produce a substrate including a silica-based film.

  提供一种可形成均匀二氧化硅基薄膜的二氧化硅基成膜组合物、一种使用该组合物生产包括二氧化硅基薄膜在内的基材的方法，以及一种添加到二氧化硅基成膜组合物中的添加剂。在包括聚硅氮烷（A）和溶剂（S）的硅基成膜组合物中，含氮极性有机溶剂被用作溶剂（S）。此外，将包括聚硅氮烷 (A) 和作为溶剂 (S) 的含氮极性有机溶剂的组合物涂覆到基底表面以形成涂覆膜，然后烘烤基底以产生包括硅基薄膜的基底。
• MACROPHOTOINITIATORS
  申请人：BASF SE

  公开号：EP2459519B1

  公开（公告）日：2017-11-29
• POLY(PHOSPHOESTERS) FOR DELIVERY OF NUCLEIC ACIDS
  申请人：Translate Bio, Inc.

  公开号：EP3638716B1

  公开（公告）日：2022-01-05
• COMPOSITION AND METHOD OF PRODUCING SILICEOUS FILM
  申请人：TOKYO OHKA KOGYO CO., LTD.

  公开号：US20180201807A1

  公开（公告）日：2018-07-19

  A composition capable of stably providing a high-quality siliceous film even under relatively low-temperature heating conditions, and a method of using the composition for forming a siliceous film. The composition includes a polysilazane and an imidazole group-containing compound represented by Formula (B):