2-(3-丁氧基苯基)乙腈 | 74205-57-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(3-丁氧基苯基)乙腈
• 英文名称: 2-(3-butoxyphenyl)acetonitrile
• 英文别名: (3-Butoxyphenyl)acetonitrile
• CAS: 74205-57-5
• 化学式: C₁₂H₁₅NO
• 分子量: 189.257
• InChiKey: PVRCSKCAERGTQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(3-丁氧基苯基)乙腈 在 双氧水 、 sodium carbonate 作用下， 以 丙酮 为溶剂， 反应 72.0h， 生成 m-butoxyphenylacetamide
  参考文献：
  名称：

  Design of inhibitors from the three-dimensional structure of alcohol dehydrogenase. Chemical synthesis and enzymic properties

  摘要：

  DOI：

  10.1021/ja00323a048
• 作为产物：
  描述：

  (3-butoxyphenyl)methanol 在 氯化亚砜 、 potassium iodide 作用下， 以 水 、 丙酮 为溶剂， 反应 38.0h， 生成 2-(3-丁氧基苯基)乙腈
  参考文献：
  名称：

  Design of inhibitors from the three-dimensional structure of alcohol dehydrogenase. Chemical synthesis and enzymic properties

  摘要：

  DOI：

  10.1021/ja00323a048

文献信息

• Nitrogen containing heterocyclic compounds
  申请人：Burroughs Wellcome Co.

  公开号：US04968698A1

  公开（公告）日：1990-11-06

  Compounds of the formula (III): ##STR1## or salts or acyl derivatives thereof, for use as antifungal and antiprotozoal agents are disclosed. Compositions containing the compounds are also disclosed as are method for the preparation of the compounds and intermediates in their preparation.

  公式（III）的化合物：##STR1##或其盐或酰基衍生物，用作抗真菌和抗原虫药物。还公开了含有这些化合物的组合物，以及制备这些化合物的方法和制备它们的中间体。
• FLUORINATED ARYLALKYLAMINOCARBOXAMIDE DERIVATIVES
  申请人：Pevarello Paolo

  公开号：US20140088074A1

  公开（公告）日：2014-03-27

  Fluorinated arylalkylaminocarboxamide derivatives of formula (I) are described wherein W, J, n, R 1 , R 2 , R 3 , R 4 , R 5 and R 6 have the meanings as defined in the specification and pharmaceutically salts thereof, pharmaceutical compositions containing them as active ingredients and their use as sodium and/or calcium channel modulators useful in preventing, alleviating and curing a wide range of pathologies, including neurological, psychiatric, cardiovascular, inflammatory, ophthalmic, urological, and gastrointestinal diseases, where the above mechanisms have been described as playing a pathological role.

  描述了公式(I)的氟化芳基烷基氨基羧酰胺衍生物，其中W、J、n、R1、R2、R3、R4、R5和R6的含义如规范中所定义，并且其药用盐、含有它们作为活性成分的药物组合物以及它们作为钠和/或钙通道调节剂的用途，用于预防、缓解和治愈包括神经、精神、心血管、炎症、眼科、泌尿和消化系统疾病在内的广泛病症，其中上述机制已被描述为发挥病理作用。
• PHENYL DERIVATIVES AND METHODS OF USE
  申请人：Dolle Roland E.

  公开号：US20100168108A1

  公开（公告）日：2010-07-01

  Novel phenyl compounds, pharmaceutical compositions containing these compounds, and methods for their pharmaceutical use are disclosed. In certain embodiments, the compounds are agonists and/or ligands of cannabinoid receptors and may be useful, inter alia, for treating and/or preventing pain, gastrointestinal disorders, genitourinary disorders, inflammation, glaucoma, auto-immune diseases, ischemic conditions, immune-related disorders, and neurodegenerative diseases, for providing cardioprotection against ischemic and reperfusion effects, for inducing apoptosis in malignant cells, and as an appetite stimulant.

  本发明涉及新型苯基化合物、含有这些化合物的制药组合物以及它们的制药用途方法。在某些实施例中，这些化合物是大麻素受体的激动剂和/或配体，可以用于治疗和/或预防疼痛、胃肠道疾病、泌尿生殖系统疾病、炎症、青光眼、自身免疫疾病、缺血性疾病、免疫相关疾病和神经退行性疾病，提供心脏对缺血和再灌注效应的保护作用，诱导恶性细胞凋亡，并作为食欲刺激剂。
• Fluorinated arylalkylaminocarboxamide derivatives
  申请人：Pevarello Paolo

  公开号：US09447029B2

  公开（公告）日：2016-09-20

  Fluorinated arylalkylaminocarboxamide derivatives of formula (I) are described wherein W, J, n, R1, R2, R3, R4, R5 and R6 have the meanings as defined in the specification and pharmaceutically salts thereof, pharmaceutical compositions containing them as active ingredients and their use as sodium and/or calcium channel modulators useful in preventing, alleviating and curing a wide range of pathologies, including neurological, psychiatric, cardiovascular, inflammatory, ophthalmic, urological, and gastrointestinal diseases, where the above mechanisms have been described as playing a pathological role.

  本文描述了公式（I）的氟代芳基烷基氨基羧酰胺衍生物，其中W、J、n、R1、R2、R3、R4、R5和R6的含义如规范中所定义，并且它们的药物盐、含有它们作为活性成分的药物组合物以及它们作为钠和/或钙通道调节剂的用途，可用于预防、缓解和治愈广泛的病理学，包括神经、精神、心血管、炎症、眼科、泌尿科和胃肠道疾病，在这些疾病中，上述机制被描述为发挥病理作用。
• Semisynthetic penicillins. XIII. 1-Alkoxyphenylcyclopropyl- and cyclobutyl-penicillins
  作者：Sh. L. Mndzhoyan、M. G. Tsinker、A. R. Ovakimyan、Yu. Z. Ter-Zakharyan、É. V. Kazaryan、R. V. Paronikyan

  DOI：10.1007/bf00765910

  日期：1980.2