N,N-diethyl-2,3-dihydro-1-oxo-1H-indene-2-carboxylate | 56434-53-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: N,N-diethyl-2,3-dihydro-1-oxo-1H-indene-2-carboxylate
• 英文别名: N,N-diethyl-3-oxo-1,2-dihydroindene-2-carboxamide
• CAS: 56434-53-8
• 化学式: C₁₄H₁₇NO₂
• 分子量: 231.294
• InChiKey: FGSHFLKDBIVSBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 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：

  N,N-diethyl-2,3-dihydro-1-oxo-1H-indene-2-carboxylate 在 碘苯 、 氟化氢吡啶 、 间氯过氧苯甲酸 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 1.0h， 以79%的产率得到N,N-diethyl-2-fluoro-2,3-dihydro-1-oxo-1H-indene-2-carboxylate
  参考文献：
  名称：

  超原子価ヨウ素試薬を用いる第３級１，３−ジカルボニル化合物の触媒的不斉フッ素化法

  摘要：

  题目：利用求核性氟化试剂在求核位反应中的应用，开发一种高效的合成第四级2-氟-1,3-二羰基化合物的方法 解决方法：本发明者使用了催化剂量的超原子价状态碘试剂，将求核性氟化试剂极性转化反应，成功地进行了氟化反应，从而开发出了一种高效的第四级2-氟-1,3-二羰基化合物的合成方法。 选择图：无

  公开号：

  JP2015063500A

文献信息

• A Simple and Effective Method for α-Hydroxylation of β-Dicarbonyl Compounds Using Oxone as an Oxidant without a Catalyst
  作者：Jun Yu、Jian Cui、Chi Zhang

  DOI：10.1002/ejoc.201000940

  日期：2010.12

  Oxone has been found to be a highly efficient reagent for the introduction of a hydroxy group at the α position of a variety of β-dicarbonyl compounds in the homogeneous solvent mixture of water and 1,4-dioxane at 60 °C.

  已发现 Oxone 是一种高效试剂，可在 60 °C 下在水和 1,4-二恶烷的均相溶剂混合物中在各种 β-二羰基化合物的 α 位引入羟基。
• 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。
• TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALTS, PROCESS FOR PRODUCTION THEREOF, AND PROCESS FOR PRODUCTION OF TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING SAME
  申请人：Nagoya Institute of Technology

  公开号：EP2460802B1

  公开（公告）日：2014-09-03
• US8703969B2
  申请人：——

  公开号：US8703969B2

  公开（公告）日：2014-04-22