6-((2S,5Ξ)-3-tert-butyl-2-phenyl-oxazolidin-5-ylmethoxy)-nicotinonitrile | 60963-99-7

• 分子结构分类: 有机化合物
• 英文名称: 6-((2S,5Ξ)-3-tert-butyl-2-phenyl-oxazolidin-5-ylmethoxy)-nicotinonitrile
• 英文别名: 6-((2S,5Ξ)-3-tert-butyl-2-phenyl-oxazolidin-5-ylmethoxy)-nicotinonitrile；S-2-Phenyl-3-Tert. butyl-5-(3-cyano-6-pyridyloxymethyl)oxazolidine；(S)-2-Phenyl-3-tert-butyl-5-(5-cyano-2-pyridyloxymethyl)-oxazolidin
• CAS: 60963-99-7
• 化学式: C₂₀H₂₃N₃O₂
• 分子量: 337.422
• InChiKey: HCYUNDIBAFIKCX-NNBQYGFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.53
• 重原子数：
  25.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  58.38
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  6-氯-3-氰基吡啶 、 (S)-2-Phenyl-3-tert-butyl-5-hydroxymethyloxazolidine 生成 6-((2S,5Ξ)-3-tert-butyl-2-phenyl-oxazolidin-5-ylmethoxy)-nicotinonitrile
  参考文献：
  名称：

  An approach to peripheral vasodilator-.beta.-adrenergic blocking agents

  摘要：

  The syntheses of 2-phenyl- and 2-pyridyl-4-trifluoromethylimidazoles having a 3-tert-butylamino-2-hydroxypropoxy moiety attached to the aryl or heteroaryl substituent are described. Structure--activity relationships based on results from an evaluation of these compounds for antihypertensive, vasodilating, and beta-adrenergic blocking activities are discussed.

  DOI：

  10.1021/jm00218a007

文献信息

• 3-Amino-2-OR-propoxyaryl substituted imidazoles
  申请人：Merck & Co., Inc.

  公开号：US04134983A1

  公开（公告）日：1979-01-16

  Novel 3-amino-2-OR-propoxyaryl substituted imidazoles and methods for their preparation are disclosed. These imidazoles, and their salts, exhibit pharmacological activity which includes antihypertensive activity and .beta.-adrenergic blocking activity.

  本发明揭示了一种新型的3-氨基-2-OR-丙氧基芳基取代咪唑并其制备方法。这些咪唑及其盐表现出药理活性，包括降压活性和β-肾上腺素受体阻滞活性。
• 3-Amino-2-hydroxypropoxyaryl imidazole derivatives
  申请人：Merck & Co., Inc.

  公开号：US04440774A1

  公开（公告）日：1984-04-03

  Novel substituted imidazoles of the formula ##STR1## and methods for their preparation are disclosed. These imidazoles, and their salts, exhibit pharmacological activity which includes antihypertensive activity and .beta.-adrenergic blocking activity.

  揭示了公式为##STR1##的新型取代咪唑类化合物以及它们的制备方法。这些咪唑类化合物及其盐表现出药理活性，包括抗高血压活性和β-肾上腺素受体阻滞活性。