4-(2-(pivaloylamino)phenyl)-2,5-dihydrofuran-3-carboxylic acid-methyl ester | 237400-02-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 4-(2-(pivaloylamino)phenyl)-2,5-dihydrofuran-3-carboxylic acid-methyl ester
• 英文别名: methyl 4-[2-(2,2-dimethylpropanoylamino)phenyl]-2,5-dihydrofuran-3-carboxylate
• CAS: 237400-02-1
• 化学式: C₁₇H₂₁NO₄
• 分子量: 303.358
• InChiKey: CUNKUTBYGYBNKI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(2-(pivaloylamino)phenyl)-2,5-dihydrofuran-3-carboxylic acid-methyl ester 在 盐酸 、 甲醇 、 magnesium 作用下， 生成 (3aR,9bR)-3,3a,5,9b-Tetrahydro-1H-furo[3,4-c]quinolin-4-one
  参考文献：
  名称：

  Dihydroquinolines as Novel n-NOS Inhibitors

  摘要：

  Dihydroquinolines have been synthesized and have been shown to be potent n-NOS inhibitors. Selectivity versus e-NOS was increased to approximately 100-fold through appropriate substitution at the benzene ring. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00481-x
• 作为产物：
  描述：

  2,2,2-三甲基乙酰苯胺 在 四(三苯基膦)钯 、 正丁基锂 、 sodium carbonate 作用下， 以 四氢呋喃 、 乙二醇二甲醚 、 水 为溶剂， 生成 4-(2-(pivaloylamino)phenyl)-2,5-dihydrofuran-3-carboxylic acid-methyl ester
  参考文献：
  名称：

  Dihydroquinolines as Novel n-NOS Inhibitors

  摘要：

  Dihydroquinolines have been synthesized and have been shown to be potent n-NOS inhibitors. Selectivity versus e-NOS was increased to approximately 100-fold through appropriate substitution at the benzene ring. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00481-x

文献信息

• 3,4-Dihydroquinoline derivatives as nitrogen monoxide synthase (NOS) inhibitors
  申请人：Schering Aktiengesellschaft

  公开号：US06391887B1

  公开（公告）日：2002-05-21

  The invention relates to compounds of formula (I), as defined herein. The invention also relates to the use of the inventive compounds for treatment of a disease caused by the effects of nitrogen monoxide in pathological conditions.

  本发明涉及公式（I）所定义的化合物。本发明还涉及使用创新化合物治疗由病理情况下氮单氧化物效应引起的疾病。
• US6391887B1
  申请人：——

  公开号：US6391887B1

  公开（公告）日：2002-05-21
• Dihydroquinolines as Novel n-NOS Inhibitors
  作者：Stefan Jaroch、Peter Hölscher、Hartmut Rehwinkel、Detlev Sülzle、Gerardine Burton、Margrit Hillmann、Fiona M. McDonald

  DOI：10.1016/s0960-894x(02)00481-x

  日期：2002.9

  Dihydroquinolines have been synthesized and have been shown to be potent n-NOS inhibitors. Selectivity versus e-NOS was increased to approximately 100-fold through appropriate substitution at the benzene ring. (C) 2002 Elsevier Science Ltd. All rights reserved.