(bromo-2 ethyl)-6 benzoxazolinone | 92584-74-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: (bromo-2 ethyl)-6 benzoxazolinone
• 英文别名: 6-(2-bromoethyl-)benzoxazolone；6-Bromoethylbenzoxazolone；6-(2-bromoethyl)-3H-1,3-benzoxazol-2-one
• CAS: 92584-74-2
• 化学式: C₉H₈BrNO₂
• 分子量: 242.072
• InChiKey: CPLWKJWNQCWKQV-UHFFFAOYSA-N

物化性质

• 熔点：
  152-154 °C
• 密度：
  1.634±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (bromo-2 ethyl)-6 benzoxazolinone 在 potassium carbonate 作用下， 以 氯仿 、 丙酮 、 乙腈 为溶剂， 反应 171.0h， 生成 N-benzyl-N-tert-butoxycarbonyl-2-[3-ethoxycarbonylmethyl-2(3H)-benzoxazolinon-6-yl]ethylamine
  参考文献：
  名称：

  合成2（3 H）-苯并恶唑啉酮衍生物作为潜在的β-3-肾上腺素能受体配体

  摘要：

  β-3-亚型肾上腺素能受体介导脂肪分解，在寻找潜在的β-3肾上腺素能受体激动剂治疗肥胖症中，我们设计了衍生自2（3 H）-苯并恶唑啉酮的新型芳基乙醇胺，结构B 1和B 2。为了获得这些目标化合物作为起始原料，使用了各种N-苄基-[2（3H）-苯并恶唑啉酮-6-基]乙胺。

  DOI：

  10.1002/jhet.5570360521
• 作为产物：
  描述：

  2-苯并唑啉酮 在 三乙基硅烷 、 三氟乙酸 作用下， 生成 (bromo-2 ethyl)-6 benzoxazolinone
  参考文献：
  名称：

  3-Benzisothiazolylpiperazine Derivatives as Potential Atypical Antipsychotic Agents

  摘要：

  A series of substituted phenethyl derivatives of 3-benzisothiazolylpiperazine incorporating potent D-2 and 5-HT2A antagonist activity was investigated as an approach to a novel atypical antipsychotic agent. The in vitro profile of 8e from this series is a combination of D-2 receptor affinity comparable to the typical antipsychotic agent haloperidol and a 5-HT2A/D-2 ratio comparable to the atypical agent clozapine. In vivo 8e possesses activity consistent with an efficacious antipsychotic agent with less tendency to induce extrapyramidal side effects in man.

  DOI：

  10.1021/jm950625l

文献信息

• Method of treating tourette's syndrome and obsessive compulsive disorder
  申请人：Pfizer Inc.

  公开号：US06127373A1

  公开（公告）日：2000-10-03

  A method for treating Tourette's syndrome, obsessive compulsive disorder, chronic motor or vocal tic disorder in a mammal, including a human, comprising administering to said mammal an effective amount of a compound of the formula ##STR1## or a pharmaceutically acceptable acid addition salt thereof, wherein n, X, Y and Ar are as defined above.

  在哺乳动物，包括人类中，治疗抽动症、强迫症、慢性运动或发声抽动障碍的方法，包括向该哺乳动物施用公式##STR1##中的化合物或其药用可接受的酸盐的有效量，其中n、X、Y和Ar如上所定义。
• Aryl piperazinyl-(C.sub.2 or C.sub.4) alkylene heterocyclic compounds
  申请人：Pfizer Inc.

  公开号：US04831031A1

  公开（公告）日：1989-05-16

  Arylpiperazinyl-ethyl(or butyl)-heterocyclic compounds and their pharmaceutically acceptable acid addition salts are neuroleptic agents. They are useful in the treatment of psychotic disorders.

  芳基哌嗪基乙基（或丁基）杂环化合物及其药用可接受的酸盐是神经阻滞剂。它们在治疗精神病性障碍方面很有用。
• Method of treating psychiatric conditions
  申请人：Pfizer Inc

  公开号：US06245766B1

  公开（公告）日：2001-06-12

  A method for treating a psychiatic condition or disorder selected from anxiety disorders such as panic disorder, posttraumatic stress disorder and phobias, psychotic episodes of anxiety, anxiety associated with psychosis, psychotic mood disorders such as severe major depressive disorder and mood disorders associated with psychotic disorders such as acute mania or depression associated with bipolar disorder, schizophrenia, behavioral manifestations of mental retardation, conduct disorder or autistic disorder, dementias such as dementias of the Alzheimer's type, and dyskinesias such as drug induced and neurodegeneration based dyskinesias in a mammal, including a human, comprising administering to said mammal a pharmaceutically effective amount of a compound of the formula or a pharmaceutically acceptable acid addition salt thereof, wherein n, X, Y and Ar are as defined above.

  一种用于治疗精神疾病或障碍的方法，所述精神疾病或障碍包括恐慌症、创伤后应激障碍和恐惧症等焦虑障碍，焦虑的精神病性发作，与精神病相关的焦虑，严重的重性抑郁障碍等精神情绪障碍，以及急性躁狂或与双相情感障碍相关的抑郁等精神障碍，如双相情感障碍、精神发育迟滞的行为表现、行为障碍或自闭症障碍、阿尔茨海默病型痴呆症和药物诱导的运动障碍以及基于神经退行性的运动障碍等运动障碍，包括人类在内的哺乳动物，包括向所述哺乳动物投予上述化合物的药效有效量或其药学上可接受的酸盐加合物，其中n、X、Y和Ar如上所定义。
• METHOD OF TREATING GLAUCOMA AND ISCHEMIC RETINOPATHY
  申请人：——

  公开号：US20020004504A1

  公开（公告）日：2002-01-10

  A method for treating glaucoma and ischemic retinopathy in a mammal, comprising administering to said mammal a therapeutically effective amount of a compound of the formula 1 or a pharmaceutically acceptable acid addition salt thereof, wherein n, X, Y and Ar are as defined in the specification.

  在哺乳动物中治疗青光眼和缺血性视网膜病的方法，包括向所述哺乳动物施用公式1的化合物或其药学上可接受的酸盐的治疗有效量，其中n、X、Y和Ar如规范中定义。
• Benzoxazolinones
  申请人：Riom Laboratories - Cerm S.A.

  公开号：US04558060A1

  公开（公告）日：1985-12-10

  The invention relates to compounds of the formula: ##STR1## in which R represents hydrogen or a lower alkyl radical and R.sub.1 and R.sub.2 separately represent hydrogen, a lower alkyl, cycloalkyl or benzyl radical, or represent, together with the nitrogen atom to which they are bonded, a heterocyclic radical such as a morpholino, 4-(pyrimidin-2-yl)-piperazinyl or 4-phenylpiperazinyl the phenyl radical of which being optionally substituted by halogen, lower alkoxy or trifluoromethyl, having CNS activity and particularly hypnotic properties. Moreover the compounds in which R.sub.1 and R.sub.2 are hydrogen can be used in the treatment of heart failure.

  本发明涉及式子：##STR1##其中R代表氢或较低的烷基基团，R.sub.1和R.sub.2分别代表氢、较低的烷基、环烷基或苄基基团，或者与它们结合的氮原子一起代表杂环基团，例如吗啡啶基、4-(嘧啶-2-基)-哌嗪基或4-苯基哌嗪基，其中苯基可以选择性地被卤素、较低的烷氧基或三氟甲基取代，具有中枢神经系统活性，尤其是催眠作用。此外，R.sub.1和R.sub.2均为氢的化合物可用于治疗心力衰竭。