2-Methyl-3-oxobutansaeure-N,N-diethylamid | 26280-66-0

• 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: 2-Methyl-3-oxobutansaeure-N,N-diethylamid
• 英文别名: α-Acetyl-N,N-diethylpropionamid；2-Acetyl-propionsaeure-N,N-diethylamid；Methylacetoessigsaeure-N-diethylamid；Acetyl-2-N,N-diaethylpropionamid；N,N-diethyl-2-methyl-3-oxobutanamide
• CAS: 26280-66-0
• 化学式: C₉H₁₇NO₂
• 分子量: 171.239
• InChiKey: FARRQPBYWTVTBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-Methyl-3-oxobutansaeure-N,N-diethylamid 在 二甲基苯基硅烷 作用下， 以 三氟乙酸 为溶剂， 反应 3.0h， 以94%的产率得到erythro-N,N-diethyl-3-hydroxy-2-methylbutanamide
  参考文献：
  名称：

  Highly stereoselective reduction of .alpha.-substituted .beta.-keto amides by means of hydrosilane-fluoride ion and hydrosilane-acid reagent. A practical approach to aldols of both threo and erythro configurations

  摘要：

  DOI：

  10.1021/ja00312a098
• 作为产物：
  描述：

  1-(二乙氨基)丙炔 在 盐酸 、 magnesium bromide 作用下， 以 乙醚 为溶剂， 生成 2-Methyl-3-oxobutansaeure-N,N-diethylamid
  参考文献：
  名称：

  Ficini,J. et al., Bulletin de la Societe Chimique de France, 1973, p. 3367 - 3368

  摘要：

  DOI：

文献信息

• One-pot synthesis of 5-(substituted-amino)pyrazoles
  作者：Dharmpal S Dodd、Rogelio L Martinez

  DOI：10.1016/j.tetlet.2004.04.017

  日期：2004.5

  An efficient and mild one-pot synthesis of substituted 5-alkylamino and/or 5-(arylamino)pyrazoles is described. A suitably decorated β-ketoamide, an aryl or alkyl hydrazine and Lawesson's reagent are suspended in THF/Py and gently heated to yield the requisite 5-aminopyrazoles.

  描述了取代的5-烷基氨基和/或5-（芳基氨基）吡唑的有效且温和的一锅合成。将适当修饰的β-酮酰胺，芳基或烷基肼和Lawesson试剂悬浮在THF / Py中，并轻轻加热，以生成所需的5-氨基吡唑。
• TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALT, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING THE SAME
  申请人：Shibata Norio

  公开号：US20120130090A1

  公开（公告）日：2012-05-24

  A trifluoromethylthiophenium derivative salt useful as synthetic intermediates for pharmaceuticals and agrochemicals, a method for producing the same, and a method for producing trifluoromethyl-containing compounds using the same are provided. An S-(trifluoromethyl)-benzo[b]thiophenium derivative salt is represented by the following general formula (1): wherein R 1 , R 2 , R 3 , and R 4 are each independently a hydrogen atom, a methyl group, an ethyl group, a linear, branched, or cyclic alkyl group having 3 to 10 carbon atoms, a methoxy group, an ethoxy group, a linear, branched, or cyclic alkyloxy group having 3 to 10 carbon atoms, a fluorine atom, a chlorine atom, a bromine atom, a nitro group, or a cyano group, R 5 is a methyl group, an ethyl group, a linear, branched, or cyclic alkyl group having 3 to 10 carbon atoms, a phenyl group, or a substituted phenyl group, and X − represents an anion. Various trifluoromethyl-containing compounds are produced using a method for producing the S-(trifluoromethyl)-benzo[b]thiophenium derivative salt, and using the S-(trifluoromethyl)-benzo[b]thiophenium derivative salt as a trifluoromethylating agent.

  本发明提供一种三氟甲基噻吩盐衍生物，可用作制药和农药的合成中间体，以及其制备方法和使用该盐衍生物制备含三氟甲基化合物的方法。S-(三氟甲基)-苯并[b]噻吩盐衍生物由下列普通式（1）表示：其中，R1、R2、R3和R4各自独立地是氢原子、甲基基团、乙基基团、具有3至10个碳原子的线性、支链或环烷基基团、甲氧基基团、乙氧基基团、具有3至10个碳原子的线性、支链或环烷氧基基团、氟原子、氯原子、溴原子、硝基或氰基，R5是甲基基团、乙基基团、具有3至10个碳原子的线性、支链或环烷基基团、苯基或取代苯基，X-表示阴离子。使用制备S-(三氟甲基)-苯并[b]噻吩盐衍生物的方法以及使用S-(三氟甲基)-苯并[b]噻吩盐衍生物作为三氟甲基化试剂可以制备各种三氟甲基含量的化合物。
• TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALTS, PROCESS FOR PRODUCITON THEREOF, AND PROCESS FOR PRODUCTION OF TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING SAME
  申请人：Nagoya Institute of Technology

  公开号：EP2460802A1

  公开（公告）日：2012-06-06

  A trifluoromethylthiophenium derivative salt useful as synthetic intermediates for pharmaceuticals and agrochemicals, a method for producing the same, and a method for producing trifluoromethyl-containing compounds using the same are provided. An S-(trifluoromethyl)-benzo[b]thiophenium derivative salt is represented by the following general formula (1): wherein R1, R2, R3, and R4 are each independently a hydrogen atom, a methyl group, an ethyl group, a linear, branched, or cyclic alkyl group having 3 to 10 carbon atoms, a methoxy group, an ethoxy group, a linear, branched, or cyclic alkyloxy group having 3 to 10 carbon atoms, a fluorine atom, a chlorine atom, a bromine atom, a nitro group, or a cyano group, R5 is a methyl group, an ethyl group, a linear, branched, or cyclic alkyl group having 3 to 10 carbon atoms, a phenyl group, or a substituted phenyl group, and X- represents an anion. Various trifluoromethyl-containing compounds are produced using a method for producing the S-(trifluoromethyl)-benzo[b]thiophenium derivative salt, and using the S-(trifluoromethyl)-benzo[b]thiophenium derivative salt as a trifluoromethylating agent.

  本发明提供了一种可用作医药和农用化学品合成中间体的三氟甲基噻吩衍生物盐、生产该衍生物盐的方法以及使用该衍生物盐生产含三氟甲基化合物的方法。一种 S-(三氟甲基)-苯并[b]噻吩衍生物盐由以下通式(1)表示： 其中 R1、R2、R3 和 R4 各自独立地为氢原子、甲基、乙基、具有 3 至 10 个碳原子的直链、支链或环状烷基、甲氧基、乙氧基、具有 3 至 10 个碳原子的直链、支链或环状烷氧基、氟原子、氯原子、溴原子、硝基或氰基，R5 是甲基、乙基、具有 3 至 10 个碳原子的直链、支链或环状烷基、苯基或取代苯基，X- 代表阴离子。使用生产 S-(三氟甲基)-苯并[b]噻吩衍生物盐的方法，并使用 S-(三氟甲基)-苯并[b]噻吩衍生物盐作为三氟甲基化剂，可生产出各种含三氟甲基的化合物。
• Erythro-directive reduction of .alpha.-substituted alkanones by means of hydrosilanes in acidic media
  作者：Makoto Fujita、Tamejiro Hiyama

  DOI：10.1021/jo00258a004

  日期：1988.11
• Highly stereoselective reduction of .alpha.-substituted .beta.-keto amides by means of hydrosilane-fluoride ion and hydrosilane-acid reagent. A practical approach to aldols of both threo and erythro configurations
  作者：Makoto Fujita、Tamejiro Hiyama

  DOI：10.1021/ja00312a098

  日期：1985.12