(RS)-2-phenylpropanoate | 39192-74-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: (RS)-2-phenylpropanoate
• 英文别名: 2-phenylpropionate；2-phenyl-propionic acid; deprotonated form；2-Phenylpropanoate
• CAS: 39192-74-0
• 化学式: C₉H₉O₂
• 分子量: 149.169
• InChiKey: YPGCWEMNNLXISK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  40.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (RS)-2-phenylpropanoate 、 硫酸 、 碳酸氢钠 在 乙酸乙酯 、 Sodium sulfate-III 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以to yield an oil (10.5 g, 95%) that的产率得到苯乙酸甲酯
  参考文献：
  名称：

  PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS

  摘要：

  本文披露了抑制PDE10的化合物，其在治疗多种疾病方面具有用途，包括（但不限于）精神病、焦虑、运动障碍和/或神经系统疾病，如帕金森病、亨廷顿病、阿尔茨海默病、脑炎、恐惧症、癫痫、失语症、贝尔氏面瘫、脑瘫、睡眠障碍、疼痛、抽动症、精神分裂症、妄想症、药物诱发的精神病、恐慌和强迫症。此外，还提供了该化合物的药物可接受的盐、立体异构体、溶剂合物和前药。本文还披露了含有化合物和药物可接受载体的组合物，以及与抑制需要温血动物中的PDE10有关的使用方法。

  公开号：

  US20100035872A1
• 作为产物：
  描述：

  Alpha-甲基苯乙酸甲酯 在 potassium chloride 、 hydroxide 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成 甲醇 、 (RS)-2-phenylpropanoate
  参考文献：
  名称：

  Barton, Patrick; Laws, Andrew P.; Page, Michael I., Journal of the Chemical Society. Perkin transactions II, 1994, # 9, p. 2021 - 2030

  摘要：

  DOI：

文献信息

• PDE10 inhibitors and related compositions and methods
  申请人：Cutshall Neil S.

  公开号：US08377930B2

  公开（公告）日：2013-02-19

  Compounds that inhibit PDE10 are disclosed that have utility in the treatment of a variety of conditions, including (but not limited to) psychotic, anxiety, movement disorders and/or neurological disorders such as Parkinson's disease, Huntington's disease, Alzheimer's disease, encephalitis, phobias, epilepsy, aphasia, Bell's palsy, cerebral palsy, sleep disorders, pain, Tourette's syndrome, schizophrenia, delusional disorders, drug-induced psychosis and panic and obsessive-compulsive disorders. Pharmaceutically acceptable salts, stereoisomers, solvates and prodrugs of the compounds are also provided. Also disclosed are compositions containing a compound in combination with a pharmaceutically acceptable carrier, as well as methods relating to the use thereof for inhibiting PDE10 in a warm-blooded animal in need of the same.

  本文披露了抑制PDE10的化合物，该化合物在治疗多种疾病方面具有用途，包括（但不限于）精神病、焦虑症、运动障碍和/或神经系统疾病，如帕金森病、亨廷顿病、阿尔茨海默病、脑炎、恐惧症、癫痫、失语症、贝尔氏麻痹症、脑瘫、睡眠障碍、疼痛、抽动症、精神分裂症、妄想症、药物诱发的精神病和惊恐和强迫症。此外，还提供了该化合物的药物可接受的盐、立体异构体、溶剂物和前药。本文还披露了含有化合物与药物可接受的载体组合的组合物，以及与使用该组合物抑制需要同样的温血动物的PDE10相关的方法。
• Performances of Homogeneous Charge Transfer Catalysts in the Electrocarboxylation of Benzyl Halides.
  作者：Onofrio Scialdone、Giuseppe Filardo、Alessandro Galia、Davide Mantione、Giuseppe Silvestri、André Tallec、Tatsuya Shono、H. Toftlund

  DOI：10.3891/acta.chem.scand.53-0800

  日期：——

  The electrocarboxylation of benzyl halides to the corresponding carboxylic acids performed by homogeneous charge transfer catalysts is reported here. The performances of selected ester derivatives of benzoic acid and of the three isomers of benzenedicarboxylic acid as catalysts are evaluated on the basis of the faradaic efficiency of the carboxylation and of the decomposition rate of the catalyst. The standard redox potentials of catalysts are related to the selectivity of the process. Rates of catalyst decomposition appear to be dependent on the molar ratio [halide]/[catalyst] and on the cathode material.
• Barton, Patrick; Laws, Andrew P.; Page, Michael I., Journal of the Chemical Society. Perkin transactions II, 1994, # 9, p. 2021 - 2030
  作者：Barton, Patrick、Laws, Andrew P.、Page, Michael I.

  DOI：——

  日期：——
• PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS
  申请人：Cutshall Neil S.

  公开号：US20100035872A1

  公开（公告）日：2010-02-11

  Compounds that inhibit PDE10 are disclosed that have utility in the treatment of a variety of conditions, including (but not limited to) psychotic, anxiety, movement disorders and/or neurological disorders such as Parkinson's disease, Huntington's disease, Alzheimer's disease, encephalitis, phobias, epilepsy, aphasia, Bell's palsy, cerebral palsy, sleep disorders, pain, Tourette's syndrome, schizophrenia, delusional disorders, drug-induced psychosis and panic and obsessive-compulsive disorders. Pharmaceutically acceptable salts, stereoisomers, solvates and prodrugs of the compounds are also provided. Also disclosed are compositions containing a compound in combination with a pharmaceutically acceptable carrier, as well as methods relating to the use thereof for inhibiting PDE10 in a warm-blooded animal in need of the same.

  本文披露了抑制PDE10的化合物，其在治疗多种疾病方面具有用途，包括（但不限于）精神病、焦虑、运动障碍和/或神经系统疾病，如帕金森病、亨廷顿病、阿尔茨海默病、脑炎、恐惧症、癫痫、失语症、贝尔氏面瘫、脑瘫、睡眠障碍、疼痛、抽动症、精神分裂症、妄想症、药物诱发的精神病、恐慌和强迫症。此外，还提供了该化合物的药物可接受的盐、立体异构体、溶剂合物和前药。本文还披露了含有化合物和药物可接受载体的组合物，以及与抑制需要温血动物中的PDE10有关的使用方法。