4-氯-1-(4-氟-2-羟基苯基)丁烷-1-酮 | 61053-78-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-氯-1-(4-氟-2-羟基苯基)丁烷-1-酮
• 英文名称: γ-Chlor-2-hydroxy-4-fluor-butyrophenon
• 英文别名: γ-Cl-2-OH-4-F-Butyrophenon；4-chloro-1-(4-fluoro-2-hydroxyphenyl)butan-1-one；γ-chloro-2-hydroxy-4-fluorobutyrophenone
• CAS: 61053-78-9
• 化学式: C₁₀H₁₀ClFO₂
• 分子量: 216.64
• InChiKey: FKBCLQRLYCUPIY-UHFFFAOYSA-N

物化性质

• 熔点：
  68-70 °C
• 沸点：
  334.1±32.0 °C(Predicted)
• 密度：
  1.289±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-氯-1-(4-氟-2-羟基苯基)丁烷-1-酮 生成 (1E)-4-chloro-1-(4-fluoro-2-hydroxyphenyl)-1-butanone oxime
  参考文献：
  名称：

  DAVIS, LARRY;EFFLAND, RICHARD C.

  摘要：

  DOI：
• 作为产物：
  描述：

  3-氟苯酚 、 4-氯丁酰氯 在 trifluoroborane diethyl ether 作用下， 生成 4-氯-1-(4-氟-2-羟基苯基)丁烷-1-酮
  参考文献：
  名称：

  Psychotropic .gamma.-(heterocyclic substituted) butyrophenones

  摘要：

  拥有优秀精神药效的丁酮酚类化合物，其化学式如下：##STR1## 其中Z的定义如下。

  公开号：

  US04235914A1

文献信息

• Substituted heterocycle fused gamma-carbolines
  申请人：——

  公开号：US20040220178A1

  公开（公告）日：2004-11-04

  The present invention is directed to methods of treating addictive behavior and sleep disorders by administering compounds represented by structural Formula (I) 1 or pharmaceutically acceptable salt forms thereof, wherein R 1 , R 5 , R 6a , R 6b , R 7 , R 8 , R 9 , X, b, k, m, and n, and the dashed lines are described herein. The compounds used in the method of treatment of this invention are serotonin agonists and antagonists and are useful in the control or prevention of central nervous system disorders including addictive behavior and sleep disorders.

  本发明涉及通过给予由结构式（I）表示的化合物或其药学上可接受的盐形式来治疗成瘾行为和睡眠障碍的方法，其中R1、R5、R6a、R6b、R7、R8、R9、X、b、k、m和n以及虚线如本文所述。本发明治疗方法中使用的化合物是5-羟色胺激动剂和拮抗剂，对于控制或预防包括成瘾行为和睡眠障碍在内的中枢神经系统疾病是有用的。
• Substituted heterocycle fused γ-carbolines
  申请人：Bristol-Myers Squibb Pharma Company

  公开号：US07183282B2

  公开（公告）日：2007-02-27

  The present invention is directed to compounds useful for treating addictive behavior and sleep disorders represented by structural Formula (I) or pharmaceutically acceptable salt forms thereof, wherein R1, R5, R6a, R6b, R7, R8, R9, X, b, k, m, and n, and the dashed lines are described herein. The compounds used in the method of treatment of this invention are serotonin agonists and antagonists and are useful in the control or prevention of central nervous system disorders including addictive behavior and sleep disorders.

  本发明涉及用于治疗成瘾行为和睡眠障碍的化合物，其结构式表示为（I）或其药学上可接受的盐形式，其中R1、R5、R6a、R6b、R7、R8、R9、X、b、k、m和n以及虚线如本文所述。本发明治疗方法中使用的化合物是5-羟色胺激动剂和拮抗剂，可用于控制或预防中枢神经系统疾病，包括成瘾行为和睡眠障碍。
• 1-(3-(6-fluoro-1,2-benzisoxasol-3-yl)propyl)-4-hydroxy-4-phenylpiperidines, a process for their preparation and their use as medicaments
  申请人：HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED

  公开号：EP0063799A2

  公开（公告）日：1982-11-03

  1-[3-(6-fluoro-1,2-benzisoxazol-3-yl)propyl]-4-hydroxy--4-penylpiperidines, of formula: wherein X is hydrogen, loweralkyl, loweralkoxy, halogen or trifluoromethyl; Y is hydrogen or trifluoromethyl with the proviso that Y is hydrogen when X is hydrogen, loweralkyl, loweralkoxy or trifluoromethyl and Y is hydrogen, trifluoromethyl when X is halogen; the optical antipodes thereof, or pharmaceutically acceptable addition salts thereof, processes and intermediates for the preparation thereof, a process for the preparation of the intermediate, and the use of the title compounds as medicaments are disclosed.

  公开了1-[3-(6-氟-1,2-苯并异噁唑-3-基)丙基]-4-羟基--4-戊基哌啶，其式为： 其中X为氢、低级烷基、低级烷氧基、卤素或三氟甲基；Y为氢或三氟甲基，但条件是当X为氢、低级烷基、低级烷氧基或三氟甲基时Y为氢，当X为卤素时Y为氢、三氟甲基；其光学对映体或其药学上可接受的加成盐，其制备工艺和中间体，中间体的制备工艺，以及标题化合物作为药物的用途。
• 3-(Gamma-chloropropyl)-6-fluor-1,2-benzisoxazole, process for its preparation and its use as an intermediate
  申请人：HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED

  公开号：EP0149229A2

  公开（公告）日：1985-07-24

  The present invention relates to 3-(γ-chloropropyl)-6-fluoro-1,2-benzisoxazole, a process for the preparation thereof and its use in the synthesis of compounds which are useful as neuroleptics. The benzisoxazole having the structural formula is prepared by cyclizing an oxime derivative having the formula where R is a substituent selected from where alkyl is a straight or branched chain hydrocarbon of 1 to 5 carbon atoms, and

  本发明涉及 3-(γ-氯丙基)-6-氟-1,2-苯并异噁唑、其制备方法及其在合成可用作神经抑制剂的化合物中的用途。 具有结构式的苯并异噁唑是通过环化具有以下式子的肟衍生物制备的 其中 R 是选自以下的取代基 烷基是 1 至 5 个碳原子的直链或支链烃，以及
• DAVIS, LARRY;EFFLAND, RICHARD C.
  作者：DAVIS, LARRY、EFFLAND, RICHARD C.

  DOI：——

  日期：——