2-(3,5-Bis-trifluoromethyl-phenylsulfanyl)-benzaldehyde | 643763-23-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-(3,5-Bis-trifluoromethyl-phenylsulfanyl)-benzaldehyde
• 英文别名: 2-[3,5-bis(trifluoromethyl)phenyl]sulfanylbenzaldehyde
• CAS: 643763-23-9
• 化学式: C₁₅H₈F₆OS
• 分子量: 350.284
• InChiKey: WVZMHDAGOOMULM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-(3,5-Bis-trifluoromethyl-phenylsulfanyl)-benzaldehyde 在 sodium hydroxide 、 sodium hydride 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 乙醇 为溶剂， 反应 24.0h， 生成 (E)-3-[2-(3,5-Bis-trifluoromethyl-phenylsulfanyl)-phenyl]-N-(4-dimethylamino-butyl)-acrylamide
  参考文献：
  名称：

  A concise synthesis of ortho-substituted aryl-acrylamides—potent activators of soluble guanylyl cyclase

  摘要：

  Horner-Emmons reaction of phosphonate amides with aldehydes leads to generation of o-substituted aryl-acrylamides. These compounds have been shown to be useful to quickly establish structure-activity relationships (SAR) for soluble guanylyl cyclase (sGC) activator drug discovery. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.09.161
• 作为产物：
  描述：

  3,5-双(三氟甲基)苯硫酚 、 alkaline earth salt of/the/ methylsulfuric acid 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-(3,5-Bis-trifluoromethyl-phenylsulfanyl)-benzaldehyde
  参考文献：
  名称：

  A concise synthesis of ortho-substituted aryl-acrylamides—potent activators of soluble guanylyl cyclase

  摘要：

  Horner-Emmons reaction of phosphonate amides with aldehydes leads to generation of o-substituted aryl-acrylamides. These compounds have been shown to be useful to quickly establish structure-activity relationships (SAR) for soluble guanylyl cyclase (sGC) activator drug discovery. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.09.161

文献信息

• A concise synthesis of ortho-substituted aryl-acrylamides—potent activators of soluble guanylyl cyclase
  作者：Henry Q. Zhang、Zhiren Xia、Teodozyj Kolasa、Jurgen Dinges

  DOI：10.1016/j.tetlet.2003.09.161

  日期：2003.11

  Horner-Emmons reaction of phosphonate amides with aldehydes leads to generation of o-substituted aryl-acrylamides. These compounds have been shown to be useful to quickly establish structure-activity relationships (SAR) for soluble guanylyl cyclase (sGC) activator drug discovery. (C) 2003 Elsevier Ltd. All rights reserved.