3,7-dimethyl-8 methoxy-6-phenylthiomethoxyisochroman | 187104-64-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 3,7-dimethyl-8 methoxy-6-phenylthiomethoxyisochroman
• 英文别名: 3,7-dimethyl-8-methoxy-6-phenylthiomethoxyisochroman；8-methoxy-3,7-dimethyl-6-(phenylsulfanylmethoxy)-3,4-dihydro-1H-isochromene
• CAS: 187104-64-9
• 化学式: C₁₉H₂₂O₃S
• 分子量: 330.448
• InChiKey: CCWJDRUCGVWODQ-UHFFFAOYSA-N

物化性质

• 沸点：
  491.7±45.0 °C(Predicted)
• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  53
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,7-dimethyl-8 methoxy-6-phenylthiomethoxyisochroman 在 W-6 Raney nickel 、 sodium hydride 、 乙硫醇 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 21.0h， 生成 3,4-二氢-6-甲氧基-3,7-二甲基-1H-苯并吡喃-8-醇
  参考文献：
  名称：

  Syntheses of 3,7-Dimethyl-8-hydroxy-6-methoxyisochroman, the 3,7-Dimethyl-6-hydroxy-8-methoxy Isomer, and Their Ester and Ether Derivatives:  Plant Growth Regulatory Activity

  摘要：

  A systematic investigation of ester and ether derivatives of 3,7-dimethyl-8-hydroxy-6-methoxyisochroman and 3,7-dimethyl-6-hydroxy-8-methoxyisochroman has established that all of the derivatives synthesized exhibited activity in the wheat coleoptile assay, with several of the compounds being more active than the parent systems.

  DOI：

  10.1021/jf960618l
• 作为产物：
  描述：

  1-[3,5-dimethoxy-4-methylphenyl]-propan-2-ol 在 sodium hydride 、 乙硫醇 、 sodium iodide 作用下， 以 四氢呋喃 为溶剂， 反应 12.25h， 生成 3,7-dimethyl-8 methoxy-6-phenylthiomethoxyisochroman
  参考文献：
  名称：

  Syntheses of 3,7-Dimethyl-8-hydroxy-6-methoxyisochroman, the 3,7-Dimethyl-6-hydroxy-8-methoxy Isomer, and Their Ester and Ether Derivatives:  Plant Growth Regulatory Activity

  摘要：

  A systematic investigation of ester and ether derivatives of 3,7-dimethyl-8-hydroxy-6-methoxyisochroman and 3,7-dimethyl-6-hydroxy-8-methoxyisochroman has established that all of the derivatives synthesized exhibited activity in the wheat coleoptile assay, with several of the compounds being more active than the parent systems.

  DOI：

  10.1021/jf960618l

文献信息

• Synthesis of isochromans and their derivatives
  申请人：The United States od America as Represented by the Secretary of

  公开号：US05922889A1

  公开（公告）日：1999-07-13

  Isochromans and their derivatives have been chemically synthesized. These compounds possess significant phytotoxic activity which may be used as a biodegradable contact herbicide. The synthetic method allows for economic production of these herbicides.

  异色满和它们的衍生物已经被化学合成。这些化合物具有显著的植物毒性活性，可用作可生物降解的接触除草剂。合成方法允许经济生产这些除草剂。
• US5922889A
  申请人：——

  公开号：US5922889A

  公开（公告）日：1999-07-13
• Syntheses of 3,7-Dimethyl-8-hydroxy-6-methoxyisochroman, the 3,7-Dimethyl-6-hydroxy-8-methoxy Isomer, and Their Ester and Ether Derivatives:  Plant Growth Regulatory Activity
  作者：Horace G. Cutler、George Majetich、Xinrong Tian、Paul Spearing

  DOI：10.1021/jf960618l

  日期：1997.4.1

  A systematic investigation of ester and ether derivatives of 3,7-dimethyl-8-hydroxy-6-methoxyisochroman and 3,7-dimethyl-6-hydroxy-8-methoxyisochroman has established that all of the derivatives synthesized exhibited activity in the wheat coleoptile assay, with several of the compounds being more active than the parent systems.