S-(2,6-diformyl-4-methoxyphenyl) dimethylcarbamothioate | 1396316-18-9

• 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: S-(2,6-diformyl-4-methoxyphenyl) dimethylcarbamothioate
• CAS: 1396316-18-9
• 化学式: C₁₂H₁₃NO₄S
• 分子量: 267.306
• InChiKey: VQWBXXJUWIHASC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.09
• 重原子数：
  18.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  63.68
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  三(2-氨基乙基)胺 、 S-(2,6-diformyl-4-methoxyphenyl) dimethylcarbamothioate 、 silver trifluoromethanesulfonate 以 甲醇 为溶剂， 以90%的产率得到
  参考文献：
  名称：

  Dimetal complexes of a bibrachial 2+2 thiolate-based macrocycle

  摘要：

  Protocols for accessing the [2 + 3] and [2 + 2] tren + thiophenolate-based cryptands and macrocycles, respectively, have been devised; however, a propensity towards incomplete crypt formation is clear: Cd(II)(2), Mn(II)(2), Ni(II)(2) and Pd(II)(2) complexes of the [2 + 2] bibrachial systems in which one arm of each of the tren head groups is pendant were isolated in attempts to make the crypts. The Mn(II) 2 complex can be used in transmetallation reactions and these probably occur in a stepwise fashion for the heavier, softer metal ions since the plausible intermediates Mn(II) M(II), M = Cd, Pd, were identified. There is evidence for the formation of [2 + 3] cryptand systems using templating Ag(I) and Cd(II); however, reaction conditions need to be strictly controlled to ensure isolation of either the [2 + 3] cryptand or the [2 + 2] macrocyclic complex since ensuing reactions leading to intractable oligomers are competing. The template and transmetallation experiments described here emphasise the relatively greater hydrolytic sensitivity of the thiophenol-derived imino macrocycles and crypts than their better-known phenol-based counterparts.

  DOI：

  10.1080/10610278.2012.701302
• 作为产物：
  描述：

  2,6-二甲酰-4-甲氧基苯酚 、 二甲氨基硫代甲酰氯 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 24.0h， 以74%的产率得到S-(2,6-diformyl-4-methoxyphenyl) dimethylcarbamothioate
  参考文献：
  名称：

  Dimetal complexes of a bibrachial 2+2 thiolate-based macrocycle

  摘要：

  Protocols for accessing the [2 + 3] and [2 + 2] tren + thiophenolate-based cryptands and macrocycles, respectively, have been devised; however, a propensity towards incomplete crypt formation is clear: Cd(II)(2), Mn(II)(2), Ni(II)(2) and Pd(II)(2) complexes of the [2 + 2] bibrachial systems in which one arm of each of the tren head groups is pendant were isolated in attempts to make the crypts. The Mn(II) 2 complex can be used in transmetallation reactions and these probably occur in a stepwise fashion for the heavier, softer metal ions since the plausible intermediates Mn(II) M(II), M = Cd, Pd, were identified. There is evidence for the formation of [2 + 3] cryptand systems using templating Ag(I) and Cd(II); however, reaction conditions need to be strictly controlled to ensure isolation of either the [2 + 3] cryptand or the [2 + 2] macrocyclic complex since ensuing reactions leading to intractable oligomers are competing. The template and transmetallation experiments described here emphasise the relatively greater hydrolytic sensitivity of the thiophenol-derived imino macrocycles and crypts than their better-known phenol-based counterparts.

  DOI：

  10.1080/10610278.2012.701302