methyl 2,2,5,5-tetramethyl-3-pyrrolidinecarboxylate | 6910-74-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: methyl 2,2,5,5-tetramethyl-3-pyrrolidinecarboxylate
• 英文别名: 3-metoxycarbonyl-2,2,5,5-tetramethylpyrrolidine；2,2,5,5-tetramethyl-3-carbomethoxypyrrolidine；2,2,5,5-Tetramethyl-3-pyrrolidin-carbonsaeuremethylester；2,2,5,5-tetramethyl-pyrrolidine-3-carboxylic acid methyl ester；2,2,5,5-Tetramethyl-pyrrolidin-3-carbonsaeure-methylester；2,2,5,5-Tetramethylpyrrolidine-3-carboxylic Acid Methyl Ester；methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate
• CAS: 6910-74-3
• 化学式: C₁₀H₁₉NO₂
• 分子量: 185.266
• InChiKey: HPSIPBFCPDOZHT-UHFFFAOYSA-N

物化性质

• 沸点：
  86 °C(Press: 10.5 Torr)
• 密度：
  0.9689 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  1.33
• 重原子数：
  13.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  38.33
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  methyl 2,2,5,5-tetramethyl-3-pyrrolidinecarboxylate 在 sodium tungstate 、 双氧水 、 碳酸氢钠 作用下， 以 甲醇 、 水 为溶剂， 以17.8 g的产率得到2,2,5,5-tetramethylpyrrolidine-1-oxyl-3-carboxylic acid methyl ester
  参考文献：
  名称：

  Facile Synthesis of 3-Methoxycarbonyl-2,2,5,5-tetra-methylpyrrolidine-1-oxyl and Derivatives

  摘要：

  We have achieved an efficient alternative synthesis of blood-brain-barrier permeable nitroxyl radicals 3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine-1-oxyl (1a) and 3-ethoxycarbonyl-2,2,5,5-tetramethylpyrrolidine-1-oxyl (1b), which affords la and 1b in 65% isolated yields by four steps from 2,2,6.6-tetramethyl-4-piperidone (2), respectively. This protocol is applicable to the synthesis of 3-isopropoxy-2,2,5,5-tetramethylpyrrolidine-1-oxyl (1c) and 3-carbonyl-2,2,5,5-tetramethylpyrro-lidine-1-oxyl (6).

  DOI：

  10.3987/com-09-11861
• 作为产物：
  描述：

  四甲基哌啶酮 在 palladium on activated charcoal 、 氢气 、 溴 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 20.0~60.0 ℃ 、300.01 kPa 条件下， 反应 9.0h， 生成 methyl 2,2,5,5-tetramethyl-3-pyrrolidinecarboxylate
  参考文献：
  名称：

  STABILIZER COMPOUND, LIQUID CRYSTAL COMPOSITION, AND DISPLAY ELEMENT

  摘要：

  本发明提供了一种由通式（I）表示的化合物。根据本发明的化合物可以防止液晶组合物因光照而恶化，与液晶组合物具有高兼容性，并不会损害液晶组合物的储存稳定性，因此该化合物作为液晶组合物的组成部分是有用的。由于含有本发明化合物的液晶组合物和液晶显示元件表现出UV抵抗性，并具有高VHR，因此可以获得具有优异显示质量的液晶显示元件，其中不会发生或被抑制烧屏和显示不均匀等显示缺陷。

  公开号：

  US20180230094A1

文献信息

• Substituted Rylene Derivatives
  申请人：Konemann Martin

  公开号：US20080167467A1

  公开（公告）日：2008-07-10

  Rylene derivatives of the general formula I in which the variables are each defined as follows: Rylene is a polycyclic conjugated ring system which comprises at least one perylene unit may comprise heteroatoms as ring atoms, may be functionalized by moieties comprising —CO— groups and/or may bear further substituents other than the A radicals; A is a radical of the formula X is oxygen or sulfur; R are identical or different radicals: optionally substituted alkyl, cycloalkyl, aryl, hetaryl, —U-aryl where U is an —O—, —S—, —NR 2 —, —CO—, —SO— or —SO 2 — moiety, or C 1 -C 12 -alkoxy, C 1 -C 6 -alkylthio, —C≡CR 2 , —CR 2 ═CR 2 2 , hydroxy, mercapto, halogen, cyano, nitro, —NR 3 R 4 , —NR 3 COR 4 , —CONR 3 R 4 , —SO 2 NR 3 R 4 , —COOR 3 or —SO 3 R 3 ; R′ are identical or different radicals: hydrogen or one of the R radicals; R 2 is hydrogen or alkyl, where the R 2 radicals may be the same or different when they occur more than once; R 3 , R 4 are each independently hydrogen; optionally substituted alkyl, aryl or hetaryl; n is from 1 to 8.

  该公式的Rylene衍生物为I，其中变量的定义如下： Rylene是一个多环共轭环系统，包括至少一个苝并单元，可能包含杂原子作为环原子，可能被含有—CO—基团的基团所官能化，或者可能带有除A基团以外的其他取代基； A是公式的基团； X是氧或硫； R是相同或不同的基团：可选取代的烷基、环烷基、芳基、杂芳基、—U-芳基，其中U是—O—、—S—、—NR2—、—CO—、—SO—或—SO2—基团，或C1-C12-烷氧基、C1-C6-烷基硫基、—C≡CR2、—CR2═CR22、羟基、巯基、卤素、氰基、硝基、—NR3R4、—NR3COR4、—CONR3R4、—SO2NR3R4、—COOR3或—SO3R3； R′是相同或不同的基团：氢或R基团之一； R2是氢或烷基，当它们出现多次时，R2基团可以相同或不同； R3、R4各自独立地为氢；可选取代的烷基、芳基或杂芳基； n为1至8。
• Nitroxyl compounds, and diagnostic media based thereon useful for
  申请人：Schering Aktiengesellschaft

  公开号：US04925652A1

  公开（公告）日：1990-05-15

  Diagnostic media suitable for NMR diagnoses contain compounds of Formula I ##STR1## wherein is a single bond or a double bond, X is the grouping --(CH.sub.2).sub.n -- or , if is a single bond, also the grouping --NHCO(CH.sub.2).sub.n -- wherein n means 0 to 4, m means the numbers 0, 1, or 2, R.sub.1 is an alkyl residue substituted by hydroxy groups, acyloxy groups and/or alkylidenedioxy groups, R.sub.2 has the same meanings as R.sub.1 or is a hydrogen atom or an alkyl residue, R.sub.3 and R.sub.4 are alkyl residues, and R.sub.5 and R.sub.6 are alkyl residues optionally substituted by hydroxy groups.

  适用于核磁共振诊断的诊断介质包含化合物I的化合物，其中I的结构为：##STR1## 其中是单键或双键，X是基团--(CH.sub.2).sub.n --或，如果是单键，则也是基团--NHCO(CH.sub.2).sub.n --，其中n表示0至4，m表示数字0、1或2，R.sub.1是被羟基、酰氧基和/或烷基二氧基基团取代的烷基残基，R.sub.2具有与R.sub.1相同的含义，或者是氢原子或烷基残基，R.sub.3和R.sub.4是烷基残基，R.sub.5和R.sub.6是烷基残基，可以被羟基基团取代。
• Nitroxyl compound and diagnostic media based thereon useful for
  申请人：Schering Aktiengesellschaft

  公开号：US04845090A1

  公开（公告）日：1989-07-04

  Diagnostic media suitable for NMR diagnoses contain compounds of Formula I ##STR1## wherein is a single bond or a double bond, X is the grouping --(CH.sub.2).sub.n -- or, if is a single bond, also the grouping --NHCO(CH.sub.2).sub.n -- wherein n means 0 to 4, m means the numbers 0, 1, or 2, R.sub.1 is an alkyl residue substituted by hydroxy groups, acyloxy groups and/or alkylidenedioxy groups, R.sub.2 has the same meanings as R.sub.1 or is a hydrogen atom or an alkyl residue, R.sub.3 and R.sub.4 are alkyl residues, and R.sub.5 and R.sub.6 are alkyl residues optionally substituted by hydroxy groups.

  适用于核磁共振诊断的诊断介质包含式I的化合物##STR1##其中是单键或双键，X是基团--(CH.sub.2).sub.n --或者，如果是单键，也可以是基团--NHCO(CH.sub.2).sub.n --其中n表示0到4的数字，m表示数字0、1或2，R.sub.1是被羟基、酰氧基和/或烷基二氧基基团取代的烷基残基，R.sub.2具有与R.sub.1相同的含义，或者是氢原子或烷基残基，R.sub.3和R.sub.4是烷基残基，R.sub.5和R.sub.6是烷基残基，可以选择地被羟基取代。
• Stabilizer compound, liquid crystal composition, and display element
  申请人：DIC CORPORATION

  公开号：US10329252B2

  公开（公告）日：2019-06-25

  The present invention provides a compound represented by General Formula (I). The compound according to the present invention prevents the liquid crystal composition from being deteriorated due to light, has high compatibility with the liquid crystal composition, and does not impair the storage stability of the liquid crystal composition, thus the compound is useful as a constituent member of a liquid crystal composition. Since the liquid crystal composition and the liquid crystal display element containing the compound of the present invention exhibit UV resistance and have a high VHR, it is possible to obtain a liquid crystal display element with excellent display quality in which display defects such as burn-in and display unevenness do not occur or are suppressed.

  本发明提供了一种由通式（I）表示的化合物。根据本发明的化合物可防止液晶组合物因光照而变质，与液晶组合物的相容性高，并且不会损害液晶组合物的储存稳定性，因此该化合物可用作液晶组合物的组成成分。由于含有本发明化合物的液晶组合物和液晶显示元件具有抗紫外线性能和较高的 VHR，因此可以获得显示质量优异的液晶显示元件，其显示缺陷（如烧焦和显示不均匀）不会发生或得到抑制。
• Liquid crystal composition and liquid crystal display device including the same
  申请人：DIC CORPORATION

  公开号：US10633590B2

  公开（公告）日：2020-04-28

  The present application provides a liquid crystal composition with high dielectric constant anisotropy and a low viscosity, and to provide a liquid crystal display device with high contrast, high-speed responsivity, high light fastness, and high display quality without image sticking and display defects. The liquid crystal composition contains one or two or more compounds represented by the general formula (I). The liquid crystal composition is of great practical use as a liquid crystal composition for use in liquid crystal displays and is effective for high contrast, high-speed response, and high quality reliability.

  本申请提供一种具有高介电常数各向异性和低粘度的液晶组合物，并提供一种具有高对比度、高速响应性、高耐光性和高显示质量且无图像粘连和显示缺陷的液晶显示设备。该液晶组合物含有一种或两种以上由通式（I）表示的化合物。该液晶组合物作为用于液晶显示器的液晶组合物具有很大的实用价值，可有效实现高对比度、高速响应和高质量可靠性。