4-[2-(dimethylamino)-1-hydroxyethyl]-2,6-dimethylphenol | 325151-60-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-[2-(dimethylamino)-1-hydroxyethyl]-2,6-dimethylphenol
• CAS: 325151-60-8
• 化学式: C₁₂H₁₉NO₂
• 分子量: 209.288
• InChiKey: PDWBJXRPBQAQOK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  15.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  43.7
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4-[2-(dimethylamino)-1-hydroxyethyl]-2,6-dimethylphenol 在 三乙基硅烷 、 caesium carbonate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 、 三氟乙酸 为溶剂， 反应 30.67h， 生成
  参考文献：
  名称：

  Turbotoxins A and B, Novel Diiodotyramine Derivatives from the Japanese Gastropod Turbo marmorata

  摘要：

  Bioassay-guided separation of the aqueous ethanol extract of the viscera of the Japanese gastropod Turbo marmorata resulted in the isolation of two toxins, turbotoxins A and B. Their structures were determined by spectral analysis and confirmed by organic synthesis to be diiodotyramine derivatives. Turbotoxins A and B exhibited acute toxicity against ddY mice, with LD99 values of 1.0 and 4.0 mg/kg, respectively. The structure-toxicity relationships of turbotoxins were examined, and it was proved that the iodine atoms and trimethyl ammonium groups are important for its acute toxicity. Turbotoxin A inhibits acetylcholinesterase with an IC50 of 28 muM. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00759-6
• 作为产物：
  描述：

  聚合甲醛 、 I+/--(Aminomethyl)-4-hydroxy-3,5-dimethylbenzenemethanol 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 反应 14.0h， 以70%的产率得到4-[2-(dimethylamino)-1-hydroxyethyl]-2,6-dimethylphenol
  参考文献：
  名称：

  Turbotoxins A and B, Novel Diiodotyramine Derivatives from the Japanese Gastropod Turbo marmorata

  摘要：

  Bioassay-guided separation of the aqueous ethanol extract of the viscera of the Japanese gastropod Turbo marmorata resulted in the isolation of two toxins, turbotoxins A and B. Their structures were determined by spectral analysis and confirmed by organic synthesis to be diiodotyramine derivatives. Turbotoxins A and B exhibited acute toxicity against ddY mice, with LD99 values of 1.0 and 4.0 mg/kg, respectively. The structure-toxicity relationships of turbotoxins were examined, and it was proved that the iodine atoms and trimethyl ammonium groups are important for its acute toxicity. Turbotoxin A inhibits acetylcholinesterase with an IC50 of 28 muM. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00759-6