3-(Ethylamino)-1-(thiophen-2-yl)prop-2-en-1-one | 663603-71-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(Ethylamino)-1-(thiophen-2-yl)prop-2-en-1-one
• 英文别名: 3-(ethylamino)-1-thiophen-2-ylprop-2-en-1-one
• CAS: 663603-71-2
• 化学式: C₉H₁₁NOS
• 分子量: 181.26
• InChiKey: NPMUCNKFQDQJJB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  57.3
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Process for producing n-monoalkyl-3-hydroxy-3-(2-thienyl)propanamine and intermediate
  申请人：Kogami Kenji

  公开号：US20050240030A1

  公开（公告）日：2005-10-27

  The present invention provides a process for producing an N-monoalkyl-3-hydroxy-3-(2-thienyl)propanamine represented by General Formula (2): wherein R is C 1-4 alkyl, comprising the step of reducing (Z)-N-monoalkyl-3-oxo-3-(2-thienyl)propenamine represented by General Formula (1): wherein R is as defined above. According to the present invention, an N-monoalkyl-3-hydroxy-3-(2-thienyl)propanamine which is for use as an intermediate for various pharmaceuticals can be produced in an industrially inexpensive and easy manner.

  本发明提供了一种生产N-单烷基-3-羟基-3-(2-噻吩基)丙胺的方法，该化合物由通式（2）表示：其中R为C1-4烷基，包括还原通式（1）所示的(Z)-N-单烷基-3-酮基-3-(2-噻吩基)丙烯胺的步骤：其中R如上所定义。根据本发明，可以以工业上廉价和容易的方式生产用于各种药物的中间体N-单烷基-3-羟基-3-(2-噻吩基)丙胺。
• (E)-N-MONOALKYL-3-OXO-3-(2-THIENYL) PROPENAMINE AND PROCESS FOR PRODUCING THE SAME AND PROCESS FOR PRODUCING (E,Z)-N-MONOALKYL-3-OXO-3-(2-THIENYL) PROPENAMINE
  申请人：SATAKE Syuzo

  公开号：US20120149917A1

  公开（公告）日：2012-06-14

  The present invention provides a process for producing (E)-N-monoalkyl-3-oxo-3-(2-thienyl)propenamine represented by Formula (1); wherein R is a C 1-4 alkyl, the method comprising the steps of: maintaining a solution containing (Z)—N-monoalkyl-3-oxo-3-(2-thienyl)propenamine dissolved therein at 25° C. or below to deposit crystals and separating crystals having a particle diameter of 100 μm or less from the deposited crystals; and a process for producing (E,Z)—N-monoalkyl-3-oxo-3-(2-thienyl)propenamine comprising the steps of: reacting an alkali metal salt of β-oxo-β-(2-thienyl)propanal with a monoalkylamine compound; adding a water-insoluble organic solvent to the resulting reaction mixture; adding seed crystals containing (E)-N-monoalkyl-3-oxo-3-(2-thienyl)propenamine to an organic layer obtained by conducting separation; and keeping the resulting mixture at 25° C. or below.

  本发明提供了一种制备式（1）所表示的（E）-N-单烷基-3-氧代-3-（2-噻吩基）丙烯胺的方法；其中R是C1-4烷基，该方法包括以下步骤：在25℃或以下维持含有溶解的（Z）-N-单烷基-3-氧代-3-（2-噻吩基）丙烯胺的溶液以沉淀晶体，并从沉淀晶体中分离出粒径为100μm或以下的晶体；以及制备（E，Z）-N-单烷基-3-氧代-3-（2-噻吩基）丙烯胺的方法，包括以下步骤：将β-氧代-β-（2-噻吩基）丙醛的碱金属盐与单烷基胺化合物反应；向所得反应混合物中加入水不溶性有机溶剂；向通过分离得到的有机层中加入含有（E）-N-单烷基-3-氧代-3-（2-噻吩基）丙烯胺的种子晶体；并将所得混合物保持在25℃或以下。
• (E)-N-Monoalkyl-3-Oxo-3-(2-Thienyl) Propenamine and Process for Producing the Same and Process for Producing (E,Z)-N-Monoalkyl-3-Oxo-3-(2-Thienyl) Propenamine
  申请人：Satake Syuzo

  公开号：US20090137823A1

  公开（公告）日：2009-05-28

  The present invention provides a process for producing (E)-N-monoalkyl-3-oxo-3-(2-thienyl)propenamine represented by Formula (1); wherein R is a C 1-4 alkyl, the method comprising the steps of: maintaining a solution containing (Z)-N-monoalkyl-3-oxo-3-(2-thienyl)propenamine dissolved therein at 25° C. or below to deposit crystals and separating crystals having a particle diameter of 100 μm or less from the deposited crystals; and a process for producing (E,Z)-N-monoalkyl-3-oxo-3-(2-thienyl)propenamine comprising the steps of: reacting an alkali metal salt of β-oxo-β-(2-thienyl)propanal with a monoalkylamine compound; adding a water-insoluble organic solvent to the resulting reaction mixture; adding seed crystals containing (E)-N-monoalkyl-3-oxo-3-(2-thienyl)propenamine to an organic layer obtained by conducting separation; and keeping the resulting mixture at 25° C. or below.

  本发明提供了一种制备由式（1）表示的（E）-N-单烷基-3-氧代-3-（2-噻吩基）丙烯胺的方法；其中R是C1-4烷基，该方法包括以下步骤：在25℃或以下维持含有(Z)-N-单烷基-3-氧代-3-（2-噻吩基）丙烯胺溶解的溶液以沉淀晶体，并从沉淀晶体中分离出粒径小于100μm的晶体；以及制备（E,Z）-N-单烷基-3-氧代-3-（2-噻吩基）丙烯胺的方法，包括以下步骤：将β-氧代-β-（2-噻吩基）丙醛的碱金属盐与单烷基胺化合物反应；向所得反应混合物中加入水不溶性有机溶剂；向通过分离得到的有机层中加入含有（E）-N-单烷基-3-氧代-3-（2-噻吩基）丙烯胺的种子晶体；并将所得混合物维持在25℃或以下。
• (E)-N-MONOALKYL-3-OXO-3-(2-THIENYL)PROPENAMINE AND PROCESS FOR PRODUCING THE SAME AND (E,Z)-N-MONOALKYL-3-OXO-3-(2-THIENYL)PROPENAMINE AND PROCESS FOR PRODUCING THE SAME
  申请人：SUMITOMO SEIKA CHEMICALS CO., LTD.

  公开号：EP1916243A1

  公开（公告）日：2008-04-30

  The present invention provides a process for producing (E)-N-monoalkyl-3-oxo-3-(2-thienyl)propenamine represented by Formula (1); wherein R is a C1-4 alkyl, the method comprising the steps of: maintaining a solution containing (Z)-N-monoalkyl-3-oxo-3-(2-thienyl)propenamine dissolved therein at 25°C or below to deposit crystals and separating crystals having a particle diameter of 100 µm or less from the deposited crystals; and a process for producing (E,Z)-N-monoalkyl-3-oxo-3-(2-thienyl)propenamine comprising the steps of: reacting an alkali metal salt of β-oxo-β-(2-thienyl)propanal with a monoalkylamine compound; adding a water-insoluble organic solvent to the resulting reaction mixture; adding seed crystals containing (E)-N-monoalkyl-3-oxo-3-(2-thienyl)propenamine to an organic layer obtained by conducting separation; and keeping the resulting mixture at 25°C or below.

  本发明提供了一种生产式 (1) 所代表的 (E)-N- 单烷基-3-氧代-3-(2-噻吩基)丙烯胺的工艺； 其中 R 为 C1-4 烷基、 该方法包括以下步骤 将含有溶解在其中的(Z)-N-单烷基-3-氧代-3-(2-噻吩基)丙烯胺的溶液保持在 25℃或以下以沉积结晶，并从沉积结晶中分离出颗粒直径为 100 微米或以下的结晶；以及生产(E,Z)-N-单烷基-3-氧代-3-(2-噻吩基)丙烯胺的工艺，包括以下步骤： 使 β-氧代-β-(2-噻吩基)丙醛的碱金属盐与单烷基胺化合物反应；向生成的反应混合物中加入不溶于水的有机溶剂；向通过传导分离得到的有机层中加入含有(E)-N-单烷基-3-氧代-3-(2-噻吩基)丙烯胺的籽晶；将生成的混合物保持在 25℃或以下。
• PROCESS FOR PRODUCING N-MONOALKYL-3-HYDROXY-3-(2-THIENYL)PROPANAMINE AND INTERMEDIATE
  申请人：SUMITOMO SEIKA CHEMICALS CO., LTD.

  公开号：EP1541569B1

  公开（公告）日：2010-05-12