N-(3,4-二氯-5-氧代-2,5-二氢-2-呋喃基)-N-甲基甲酰胺 | 247097-52-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氢呋喃
• 中文名称: N-(3,4-二氯-5-氧代-2,5-二氢-2-呋喃基)-N-甲基甲酰胺
• 英文名称: (3,4-dichloro-5-oxo-2,5-dihydro-furan-2-yl)methylformamide
• 英文别名: N-(3,4-dichloro-5-oxo-2H-furan-2-yl)-N-methylformamide
• CAS: 247097-52-5
• 化学式: C₆H₅Cl₂NO₃
• 分子量: 210.017
• InChiKey: KQDFBJQGXQBAAZ-UHFFFAOYSA-N

物化性质

• 沸点：
  437.8±45.0 °C(Predicted)
• 密度：
  1.57±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-甲基甲酰胺 、 3,4-二氯-5-羟基-5H-呋喃-2-酮 以10.5%的产率得到N-(3,4-二氯-5-氧代-2,5-二氢-2-呋喃基)-N-甲基甲酰胺
  参考文献：
  名称：

  [EN] 4-AMINO-2(5H)-FURANONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS
  [FR] NOUVEAUX 4-AMINO-2(5H)-FURANONES

  摘要：

  公开号：

  WO2004106315A3

文献信息

• Novel 4-amino-2(5H)-furanones
  申请人：Lattmann Eric

  公开号：US20070123718A1

  公开（公告）日：2007-05-31

  The present invention relates to compounds of formula (1): wherein X is selected from hydrogen, a halogen, a substituted or unsubstituted cyclic and heterocyclic moiety, substituted or unsubstituted, linear or branched alkyl, alkyloxy, alkylcarbonyl, alkyloxycarbonyl, alkenyl, alkenyloxy, alkenylcarbonyl, alkenyloxycarbonyl, alkynyl, alkynyloxy, alkynylcarbonyl, alkynyloxycarbonyl, aryl, benzyl, arlyoxy, arylcarbonyl, aryloxycarbonyl and sulphur equivalents of said oxy, carbonyl and oxycarbonyl moieties, R is selected from hydrogen, a halogen, an amide, a substituted or unsubstituted cyclic and heterocyclic moiety, substituted or unsubstituted, linear or branched alkyl, alkyloxy, alkylcarbonyl, alkyloxycarbonyl, alkenyl, alkenyloxy, alkenylcarbonyl, alkenyloxycarbonyl, alkynyl, alkynyloxy, alkynylcarbonyl, alkynyloxycarbonyl, aryl, benzyl, arlyoxy, arylcarbonyl, aryloxycarbonyl and sulphur equivalents of said oxy, carbonyl and oxycarbonyl moieties, and R 1 and R 2 arc each independently selected from H, C 1-18 straight, branched or cyclic, saturated, unsaturated and aromatic hydrocarbyl groups, which aromatic groups may be heterocyclic, cyclic or acyclic and which may optionally be substituted by alkyl, alkoxy, or halo; or R 1 and R 2 , when taken together with the N-atom to which they are bonded, may form an N-containing saturated, unsaturated or partially unsaturated ring system comprising 3 to 10 ring atoms selected from C, N and O, optionally substituted at any position of the ring by a substituent selected from a halogen, a substituted or unsubstituted cyclic and heterocyclic moiety, substituted or unsubstituted, linear or branched alkyl, alkyloxy, alkylcarbonyl, alkyloxycarbonyl, alkenyl, alkenyloxy, alkenylcarbonyl, alkenyloxycarbonyl, alkynyl, alkynyloxy, alkynylcarbonyl, alkynyloxycarbonyl, aryl, benzyl, arlyoxy, arylcarbonyl, aryloxycarbonyl, sulphur equivalents of said oxy, carbonyl and oxycarbonyl moieties, and oxo. The invention also relates to their uses as CCK receptor ligands and CCK antagonists.

  本发明涉及式（1）的化合物：其中X选自氢，卤素，取代或未取代的环状和杂环状基团，取代或未取代的线性或支链烷基，烷氧基，烷基羰基，烷氧基羰基，烯基，烯氧基，烯基羰基，烯氧基羰基，炔基，炔氧基，炔基羰基，炔氧基羰基，芳基，苄基，芳基氧基，芳基羰基，芳基氧基羰基和上述氧，羰基和氧羰基基团的硫代替物，R选自氢，卤素，酰胺，取代或未取代的环状和杂环状基团，取代或未取代的线性或支链烷基，烷氧基，烷基羰基，烷氧基羰基，烯基，烯氧基，烯基羰基，烯氧基羰基，炔基，炔氧基，炔基羰基，炔氧基羰基，芳基，苄基，芳基氧基，芳基羰基，芳基氧基羰基和上述氧，羰基和氧羰基基团的硫代替物，R1和R2各自独立地选自H，C1-18直链，支链或环状，饱和，不饱和和芳香族烃基团，其中芳香族基团可以是杂环状，环状或非环状，并且可以选择性地被烷基，烷氧基或卤素取代；或当R1和R2与它们所连接的N原子一起形成含氮的饱和，不饱和或部分不饱和的环系统时，该环系统包括3至10个环原子，选自C，N和O，并且可以在环的任何位置上选择性地被取代基所取代，所述取代基选自卤素，取代或未取代的环状和杂环状基团，取代或未取代的线性或支链烷基，烷氧基，烷基羰基，烷氧基羰基，烯基，烯氧基，烯基羰基，烯氧基羰基，炔基，炔氧基，炔基羰基，炔氧基羰基，芳基，苄基，芳基氧基，芳基羰基，芳基氧基羰基，上述氧，羰基和氧羰基基团的硫代替物以及氧代。本发明还涉及它们作为CCK受体配体和CCK拮抗剂的用途。
• [EN] 4-AMINO-2(5H)-FURANONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS<br/>[FR] NOUVEAUX 4-AMINO-2(5H)-FURANONES
  申请人：UNIV ASTON

  公开号：WO2004106315A3

  公开（公告）日：2005-03-17