trimethyl pyruvic acid tert-butylamide | 69635-32-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: trimethyl pyruvic acid tert-butylamide
• 英文别名: trimethyl pyruvic acid-N-t-butylamide；N-tert-Butyl-3,3-dimethyl-2-oxobutanamide
• CAS: 69635-32-1
• 化学式: C₁₀H₁₉NO₂
• mdl: MFCD24394003
• 分子量: 185.266
• InChiKey: JUXCNSQRTAVSNU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  trimethyl pyruvic acid tert-butylamide 以 甲醇 为溶剂， 反应 3.0h， 以71%的产率得到N-tert-butyl-1-hydroxy-2,2-dimethylcyclopropane-1-carboxamide
  参考文献：
  名称：

  α-酮酰胺通过γ-CH键活化光诱导形成环丙醇

  摘要：

  开发了一种新型的α-酮酰胺的光环化反应，提供了带有酰胺官能团的独特环丙醇。ñ -叔丁基，Ñ三苯，或ñ -壬取代在的酰胺官能团的β位置上的大体积取代基α酮酰胺通过γ-C的活化被有效地转化成相应的cyclopropanols H键，接着C酰胺的α和γ位之间形成C键。基于动力学同位素效应，从酰胺的γ-位提取氢被认为是环丙醇形成的决定速率的步骤。取决于开环的方法，环丙醇可以转化为两种不同类型的官能化α-酮酰胺。

  DOI：

  10.1016/j.tetlet.2015.09.038
• 作为产物：
  描述：

  叔丁胺 、 三甲基丙酮酸 在 N-甲基吗啉 、 (1-cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylaminomorpholinocarbenium hexafluorophosphate 作用下， 以 二氯甲烷 为溶剂， 反应 9.0h， 以51%的产率得到trimethyl pyruvic acid tert-butylamide
  参考文献：
  名称：

  α-酮酰胺通过γ-CH键活化光诱导形成环丙醇

  摘要：

  开发了一种新型的α-酮酰胺的光环化反应，提供了带有酰胺官能团的独特环丙醇。ñ -叔丁基，Ñ三苯，或ñ -壬取代在的酰胺官能团的β位置上的大体积取代基α酮酰胺通过γ-C的活化被有效地转化成相应的cyclopropanols H键，接着C酰胺的α和γ位之间形成C键。基于动力学同位素效应，从酰胺的γ-位提取氢被认为是环丙醇形成的决定速率的步骤。取决于开环的方法，环丙醇可以转化为两种不同类型的官能化α-酮酰胺。

  DOI：

  10.1016/j.tetlet.2015.09.038

文献信息

• High yield acyl anion trapping reactions: direct nucleophilic acylation of isocyanates and isothiocyanates.
  作者：Dietmar Seyferth、Richard C. Hui

  DOI：10.1016/s0040-4039(01)81576-8

  日期：——

  The reactions of t-BuLi, sec-BuLi and n-BuLi with CO in the presence of isothiocyanates and isocyanates gives, after hydrolytic work-up, α-oxothioamides, RC(O)C(S)NHR′, and α-oxoamides, RC(O)C(O)NHR′, respectively, in good yield. Competition from the direct reaction of RLi with the substrate is encountered only in the case of reactions of the n-BuLi/CO system with isocyanates.

  在异硫氰酸酯和异氰酸酯的存在下，t-BuLi，sec-BuLi和n-BuLi与CO的反应在水解后处理后得到α-氧代硫代酰胺，RC（O）C（S）NHR'和α-氧代酰胺，RC（O）C（O）NHR'的收率很高。仅在n-BuLi / CO系统与异氰酸酯反应的情况下，才会遇到RLi与底物直接反应的竞争。
• Compounds, Compositions and Methods for Making the Same
  申请人：Vafai Scott

  公开号：US20090264496A1

  公开（公告）日：2009-10-22

  The present invention provides compounds and/or compositions that modulate PP2A methylation and/or activity and methods for preparing the same, which are useful for modulating the demethylation of PP2A, modulating the methylation of PP2A and/or modulating the activity of PP2A.

  本发明提供了能够调节PP2A甲基化和/或活性的化合物和/或组合物，以及制备这些化合物和/或组合物的方法。这些化合物和/或组合物可用于调节PP2A的去甲基化、甲基化和/或活性。
• Process for the production of N-substituted .alpha.-ketocarboxylic acid
  申请人：Deutsche Gold- und Silber-Scheideanstalt vormals Roessler

  公开号：US04224226A1

  公开（公告）日：1980-09-23

  Compounds are prepared of the formula ##STR1## where R' is a t-alkyl group having 4 to 18 carbon atoms, preferably t-butyl, t-amyl or t-octyl and R is a straight or branched chain alkyl group with 1 to 18 carbon atoms, preferably 1 to 10 carbon atoms or an alkyl group substituted with one or more phenyl groups or a halogen atom, particularly a chlorine atom, or a cycloalkyl group with 3 to 8 carbon atoms, particularly cyclopropyl, which can be substituted by one or more 1 to 3 carbon atom alkyl groups or one or more halogen atoms, preferably chlorine, or phenyl or naphthyl or a five membered heterocyclic group or such phenyl, naphthyl or heterocyclic group substituted by halogen atoms, nitro groups, alkyl or alkoxy with 1 to 5 carbon atoms by condensing in acid medium an acyl cyanide of the formula R--CO--CN (II) where R is as defined above with either (a) a tertiary alcohol of the formula HO--R' (III) in which R' is as defined above, or preferably (b) an alkene of the formula ##STR2## where R.sub.1 and R.sub.2 are the same or different and are hydrogen or an alkyl group and wherein R.sub.3 and R.sub.4 are the same or different and wherein the alkyl groups in each case can be 1 to 15 carbon atoms. Some of the compounds are new. They are useful as intermediates for synthesizing herbicides and can be used directly as fungicides.

  该化合物的配方为##STR1##其中R'是具有4到18个碳原子的t-烷基，优选t-丁基，t-戊基或t-辛基，而R是直链或支链烷基，具有1到18个碳原子，优选1到10个碳原子的烷基或一个或多个苯基或卤素原子（特别是氯原子）取代的烷基，或有3到8个碳原子的环烷基，特别是环丙基，它可以由一个或多个1到3个碳原子的烷基基团或一个或多个卤素原子（优选氯）或苯基或萘基或五元杂环基团取代，通过在酸性介质中缩合公式为R--CO--CN（II）的酰基氰化物（其中R如上所述）和（a）公式为HO--R'（III）的三级醇（其中R'如上所述）或优选（b）公式为##STR2##的烯烃，其中R.sub.1和R.sub.2相同或不同，是氢或烷基，而R.sub.3和R.sub.4相同或不同，在每种情况下烷基可以是1到15个碳原子。其中一些化合物是新的。它们可用作合成除草剂的中间体，并可直接用作杀菌剂。
• N-Substituted .alpha.-ketocarboxylic acid amides
  申请人：Deutsche Gold- und Silber-Scheideanstalt vormals Roessler

  公开号：US04228082A1

  公开（公告）日：1980-10-14

  Compounds are prepared of the formula ##STR1## where R' is a t-alkyl group having 4 to 18 carbon atoms, preferably t-butyl, t-amyl or t-octyl and R is a straight or branched chain alkyl group with 1 to 18 carbon atoms, preferably 1 to 10 carbon atoms or an alkyl group substituted with one or more phenyl group or a halogen atom, particularly a chlorine atom, or a cycloalkyl group with 3 to 8 carbon atoms, particularly cyclopropyl, which can be substituted by one or more 1 to 3 carbon atom alkyl groups or one or more halogen atoms, preferably chlorine, or phenyl or naphthyl or a five membered heterocyclic group or such phenyl, naphthyl or heterocyclic group substituted by halogen atoms, nitro groups, alkyl or alkoxy with 1 to 5 carbon atoms by condensing in acid medium an acyl cyanide of the formula R--CO--CN (II) where R is as defined above with either (a) a tertiary alcohol of the formula HO--R' (III) in which R' is as defined above, or preferably (b) an alkene of the formula ##STR2## where R.sub.1 and R.sub.2 are the same or different and are hydrogen or an alkyl group and wherein R.sub.3 and R.sub.4 are the same or different and wherein the alkyl groups in each case can be 1 to 15 carbon atoms. Some of the compounds are new. They are useful as intermediates for synthesizing herbicides and can be used directly as fungicides.

  该化合物的制备公式为##STR1##其中R'是具有4至18个碳原子的t-烷基，优选为t-丁基，t-戊基或t-辛基，而R是一直链或分支烷基，具有1至18个碳原子，优选为1至10个碳原子的烷基或被一个或多个苯基或卤素原子，特别是氯原子，取代的烷基，或有3至8个碳原子的环烷基，特别是环丙基，可以被一个或多个1至3个碳原子的烷基或一个或多个卤素原子，优选为氯，或苯基或萘基或五元杂环基所取代。通过在酸性介质中将化学式为R--CO--CN（II）的酰基氰化物与（a）化学式为HO--R'（III）的三级醇，其中R'如上所定义，或优选（b）化学式为##STR2##的烯烃缩合而制备。其中R.sub.1和R.sub.2相同或不同，是氢或烷基，而R.sub.3和R.sub.4相同或不同，其中在每种情况下的烷基可以为1至15个碳原子。其中一些化合物是新的。它们可用作合成除草剂的中间体，并可直接用作杀菌剂。
• Optically active iminocarboxylic acid derivatives
  申请人：Hoffmann-La Roche Inc.

  公开号：US05710322A1

  公开（公告）日：1998-01-20

  The compounds of the formula ##STR1## wherein R is OH, NH.sub.2, lower-alkyl-NH or phenyl-lower alkyl-NH are presented. These compounds can be catalytically hydrogenated to the corresponding .alpha.-aminocarboxylic acid derivatives which are intermediates in the synthesis of therapeutic pseudopeptides.

  该式的化合物为 ##STR1## 其中 R 为 OH，NH.sub.2，较低的烷基-NH或苯基-较低的烷基-NH。这些化合物可以催化氢化为相应的α-氨基羧酸衍生物，这些衍生物是合成治疗性伪肽的中间体。