7-Amino-6,9-dimethyl-3-phenylsulfanyl-2,3-dihydro-benzo[de]chromene-3-carbonitrile | 764714-08-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 7-Amino-6,9-dimethyl-3-phenylsulfanyl-2,3-dihydro-benzo[de]chromene-3-carbonitrile
• CAS: 764714-08-1
• 化学式: C₂₁H₁₈N₂OS
• 分子量: 346.453
• InChiKey: RXEWPSDVRXCOMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.94
• 重原子数：
  25.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  59.04
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  7-Amino-6,9-dimethyl-3-phenylsulfanyl-2,3-dihydro-benzo[de]chromene-3-carbonitrile 在 sodium dihydrogenphosphate 、 potassium nitrososulfonate 作用下， 以 丙酮 为溶剂， 以81%的产率得到6,9-Dimethyl-7,8-dioxo-3-phenylsulfanyl-2,3,7,8-tetrahydro-benzo[de]chromene-3-carbonitrile
  参考文献：
  名称：

  Syntheses and anti-MRSA activities of the C3 analogs of mansonone F, a potent anti-bacterial sesquiterpenoid: insights into its structural requirements for anti-MRSA activity

  摘要：

  Syntheses and excellent anti-MRSA activities of the mansonone F analogs are reported. In addition, the minimal structural requirements for its anti-MRSA activities as well as its structure-activity relationship including the C3 substituents effects on anti-MRSA activity are also described. In particular, this study revealed that both ortho-quinone and tricyclic systems of mansonone F are essential for anti-MRSA activities. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.06.039
• 作为产物：
  描述：

  6,9-Dimethyl-7-nitro-benzo[de]chromen-3-one 在 palladium on activated charcoal 三氟化硼乙醚 、 氢气 、 四氯化锡 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 7-Amino-6,9-dimethyl-3-phenylsulfanyl-2,3-dihydro-benzo[de]chromene-3-carbonitrile
  参考文献：
  名称：

  Syntheses and anti-MRSA activities of the C3 analogs of mansonone F, a potent anti-bacterial sesquiterpenoid: insights into its structural requirements for anti-MRSA activity

  摘要：

  Syntheses and excellent anti-MRSA activities of the mansonone F analogs are reported. In addition, the minimal structural requirements for its anti-MRSA activities as well as its structure-activity relationship including the C3 substituents effects on anti-MRSA activity are also described. In particular, this study revealed that both ortho-quinone and tricyclic systems of mansonone F are essential for anti-MRSA activities. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.06.039