4-fluorophenyl N-butyl carbamate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-fluorophenyl N-butyl carbamate
• 英文别名: butyl (4-fluorophenyl)carbamate；Carbamic acid, 4-fluorophenyl-, butyl ester；butyl N-(4-fluorophenyl)carbamate
• 化学式: C₁₁H₁₄FNO₂
• 分子量: 211.236
• InChiKey: YLDKMTJXAZGFGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  tetrabutoxytitanium 、 二氧化碳 、 4-氟苯胺 以 乙腈 为溶剂， 20.0~180.0 ℃ 、5.0 MPa 条件下， 反应 0.33h， 以84%的产率得到4-fluorophenyl N-butyl carbamate
  参考文献：
  名称：

  使用钛氧化物从二氧化碳和胺中无卤合成氨基甲酸酯

  摘要：

  研究了在Ti（OR）4（R = n Bu（1），Me（2），Et（3），n Pr（4））存在下从胺和二氧化碳直接合成氨基甲酸酯的方法。在二氧化碳（5 MPa）存在下，苯胺与正丁醇钛（1）反应，在20分钟内以几乎定量的产率（99％）得到相应的正丁基N-苯基氨基甲酸酯（BPC）。此外，在脱水过程中与正丁醇反应后可再生1。恢复的1 然后可以在后续反应中重复使用。

  DOI：

  10.1002/asia.201700465

文献信息

• PRODUCTION METHOD OF CARBAMIC ACID ESTER
  申请人：NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY

  公开号：US20190185420A1

  公开（公告）日：2019-06-20

  A method of production of carbamic acid ester has a high yield and high selectivity and is superior in economy. The method of production of a carbamic acid ester includes reacting an amine, carbon dioxide, and an alkoxysilane compound in the presence of a catalyst containing a zinc compound or an alkali metal compound or in the presence of an ionic liquid. A carbamic acid ester is produced, for example by reacting aniline, carbon dioxide, and tetramethoxysilane at a temperature of 150 to 180° C. in the presence of zinc acetate and 2,2′-bipyridine.

  一种生产氨基甲酸酯的方法具有高产率和高选择性，并在经济上优越。生产氨基甲酸酯的方法包括在催化剂的存在下，将胺、二氧化碳和烷氧基硅烷化合物反应，所述催化剂含有锌化合物或碱金属化合物或存在于离子液体中。例如，通过在150至180°C的温度下，在锌醋酸和2,2'-联吡啶的存在下，将苯胺、二氧化碳和四甲氧基硅烷反应，可以生产氨基甲酸酯。
• Modulation of anxiety through blockade of anandamide hydrolysis
  申请人：The Regents of the University of California

  公开号：US20040127518A1

  公开（公告）日：2004-07-01

  Fatty acid amide hydrolase inhibitors of the Formula: 1 are provided wherein X is NH, CH 2 , O, or S; Q is O or S; Z is O or N; R is an aromatic moiety selected from the group consisting of substituted or unsubstituted aryl; substituted or unsubstituted biphenylyl, substituted or unsubstituted naphthyl, and substituted or unsubstituted phenyl; substituted or unsubstituted terphenylyl; substituted or unsubstituted cycloalkyl, heteroaryl, or alkyl; and R 1 and R 2 are independently selected from the group consisting of H, substituted or unsubstituted alkyl, substituted or unsubstituted heteroalkyl, and substituted or unsubstituted phenyl, substituted or unsubstituted biphenylyl, substituted or unsubstituted aryl, and substituted or unsubstituted heteroaryl; with the proviso that if Z is O, one of R 1 and R 2 is absent, and that if Z is N, optionally R 1 and R 2 may optionally be taken together to form a substituted or unsubstituted N-heterocycle or substituted or unsubstituted heteroaryl with the N atom to which they are each attached. Pharmaceutical compositions comprising the compounds of Formula I and methods of using them to inhibit FAAH and/or treat appetite disorders, glaucoma, pain, insomnia, and neurological and psychological disorders including anxiety disorders, epilepsy, and depression are provided.

  本发明提供了公式1中X为NH，CH2，O或S；Q为O或S；Z为O或N；R为从取代或未取代芳基；取代或未取代联苯基；取代或未取代萘基；取代或未取代苯基；取代或未取代三苯基基；取代或未取代环烷基，杂环芳基或烷基中选择的芳香基；R1和R2分别独立地选择从H，取代或未取代烷基，取代或未取代杂环烷基和取代或未取代苯基，取代或未取代联苯基，取代或未取代芳基和取代或未取代杂环芳基的群中选择；但是如果Z为O，则R1和R2中的一个不存在，如果Z为N，则R1和R2可以选择性地一起形成取代或未取代的N-杂环或取代或未取代的杂环芳基，与它们各自连接的N原子。本发明还提供了包括公式I中化合物的制药组合物以及使用它们来抑制FAAH和/或治疗食欲障碍，青光眼，疼痛，失眠和神经心理障碍，包括焦虑症，癫痫和抑郁症的方法。
• MODULATION OF ANXIETY THROUGH BLOCKADE OF ANANDAMIDE HYDROLYSIS
  申请人：Piomelli Daniele

  公开号：US20120010283A1

  公开（公告）日：2012-01-12

  Fatty acid amide hydrolase inhibitors of the Formula: are provided wherein X is NH, CH 2 , O, or S; Q is O or S; Z is O or N; R is an aromatic moiety selected from the group consisting of substituted or unsubstituted aryl; substituted or unsubstituted biphenylyl, substituted or unsubstituted naphthyl, and substituted or unsubstituted phenyl; substituted or unsubstituted terphenylyl; substituted or unsubstituted cycloalkyl, heteroaryl, or alkyl; and R 1 and R 2 are independently selected from the group consisting of H, substituted or unsubstituted alkyl, substituted or unsubstituted heteroalkyl, and substituted or unsubstituted phenyl, substituted or unsubstituted biphenylyl, substituted or unsubstituted aryl, and substituted or unsubstituted heteroaryl; with the proviso that if Z is O, one of R 1 and R 2 is absent, and that if Z is N, optionally R 1 and R 2 may optionally be taken together to form a substituted or unsubstituted N-heterocycle or substituted or unsubstituted heteroaryl with the N atom to which they are each attached. Pharmaceutical compositions comprising the compounds of Formula I and methods of using them to inhibit FAAH and/or treat appetite disorders, glaucoma, pain, insomnia, and neurological and psychological disorders including anxiety disorders, epilepsy, and depression are provided.

  提供了公式为的脂肪酸酰胺水解酶抑制剂：其中X为NH，CH2，O或S；Q为O或S；Z为O或N；R为从取代或未取代芳基；取代或未取代联苯基；取代或未取代萘基；取代或未取代苯基；取代或未取代三苯基基；取代或未取代环烷基，杂环芳基或烷基中选择的芳香基；R1和R2分别选择自H，取代或未取代烷基，取代或未取代杂环烷基，取代或未取代苯基，取代或未取代联苯基，取代或未取代芳基和取代或未取代杂环芳基的群中；但是如果Z为O，则R1和R2中的一个不存在，如果Z为N，则可选地将R1和R2结合在一起形成取代或未取代的N-杂环或取代或未取代的杂环芳基，与它们各自连接的N原子。提供了包含公式I化合物的制药组合物以及使用它们来抑制FAAH和/或治疗食欲障碍，青光眼，疼痛，失眠以及神经和心理障碍，包括焦虑症，癫痫和抑郁症的方法。
• METHOD FOR PRODUCING CARBAMIC ACID ESTER
  申请人：National Institute of Advanced Industrial Science and Technology

  公开号：EP3508473A1

  公开（公告）日：2019-07-10

  A method of production of carbamic acid ester has a high yield and high selectivity and is superior in economy. The method of production of a carbamic acid ester includes reacting an amine, carbon dioxide, and an alkoxysilane compound in the presence of a catalyst containing a zinc compound or an alkali metal compound or in the presence of an ionic liquid. A carbamic acid ester is produced, for example by reacting aniline, carbon dioxide, and tetramethoxysilane at a temperature of 150 to 180°C in the presence of zinc acetate and 2,2'-bipyridine.

  一种生产氨基甲酸酯的方法具有高产率和高选择性，而且经济性更好。氨基甲酸酯的生产方法包括在含有锌化合物或碱金属化合物的催化剂存在下，或在离子液体存在下，使胺、二氧化碳和烷氧基硅烷化合物发生反应。例如，在乙酸锌和 2,2'-联吡啶的存在下，苯胺、二氧化碳和四甲氧基硅烷在 150 至 180°C 的温度下发生反应，即可制得氨基甲酸酯。
• Production method of carbamic acid ester
  申请人：NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY

  公开号：US10752579B2

  公开（公告）日：2020-08-25

  A method of production of carbamic acid ester has a high yield and high selectivity and is superior in economy. The method of production of a carbamic acid ester includes reacting an amine, carbon dioxide, and an alkoxysilane compound in the presence of a catalyst containing a zinc compound or an alkali metal compound or in the presence of an ionic liquid. A carbamic acid ester is produced, for example by reacting aniline, carbon dioxide, and tetramethoxysilane at a temperature of 150 to 180° C. in the presence of zinc acetate and 2,2′-bipyridine.

  一种生产氨基甲酸酯的方法具有高产率和高选择性，而且经济性更好。氨基甲酸酯的生产方法包括在含有锌化合物或碱金属化合物的催化剂存在下，或在离子液体存在下，使胺、二氧化碳和烷氧基硅烷化合物发生反应。例如，在乙酸锌和 2,2′-联吡啶的存在下，苯胺、二氧化碳和四甲氧基硅烷在 150 至 180 摄氏度的温度下反应，可制得氨基甲酸酯。