6-(4-methylpiperidin-1-yl)-3,4,7,8-tetrahydro-1H-naphtho[2,1-h]isothiochromene-5-carbonitrile | 1160611-51-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 6-(4-methylpiperidin-1-yl)-3,4,7,8-tetrahydro-1H-naphtho[2,1-h]isothiochromene-5-carbonitrile
• CAS: 1160611-51-7
• 化学式: C₂₄H₂₆N₂S
• 分子量: 374.55
• InChiKey: WBCAHYHAUWLQSF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  27
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  52.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  四氢噻喃-4-酮 、 4-(4-methylpiperidin-1-yl)-2-oxo-5,6-dihydro-2H-benzo[h]chromene-3-carbonitrile 在 氢氧化钾 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以89%的产率得到6-(4-methylpiperidin-1-yl)-3,4,7,8-tetrahydro-1H-naphtho[2,1-h]isothiochromene-5-carbonitrile
  参考文献：
  名称：

  Economical synthesis of novel class of heteroatom containing partially reduced polycyclic aromatic hydrocarbons

  摘要：

  An efficient and convenient synthesis of 2-oxa- and 2-thia-3,4,7,8-tetrahydro-1H-benzo[c]phenanthrenes has been described through base-induced rind, transformation of 2-oxo-4-sec.amino-5,6-dihydro-2H-benzo[h]chromene-3-carbonitriles by 4-oxotetrahydropyran and 4-oxotetrahydrothiopyran, respectively, in excellent yields. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.03.161

文献信息

• Economical synthesis of novel class of heteroatom containing partially reduced polycyclic aromatic hydrocarbons
  作者：Ramendra Pratap、Vishnu Ji Ram

  DOI：10.1016/j.tetlet.2009.03.161

  日期：2009.6

  An efficient and convenient synthesis of 2-oxa- and 2-thia-3,4,7,8-tetrahydro-1H-benzo[c]phenanthrenes has been described through base-induced rind, transformation of 2-oxo-4-sec.amino-5,6-dihydro-2H-benzo[h]chromene-3-carbonitriles by 4-oxotetrahydropyran and 4-oxotetrahydrothiopyran, respectively, in excellent yields. (C) 2009 Elsevier Ltd. All rights reserved.