1-<2-methoxy-4-methyl-5-(methylthio)phenyl>-2-propanone | 84910-96-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-<2-methoxy-4-methyl-5-(methylthio)phenyl>-2-propanone
• 英文别名: 1-[2-methoxy-4-methyl-5-(methylthio)phenyl]-2-propanone；1-(2-Methoxy-4-methyl-5-methylsulfanylphenyl)propan-2-one
• CAS: 84910-96-3
• 化学式: C₁₂H₁₆O₂S
• 分子量: 224.324
• InChiKey: INTAVJFXPGXZQU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-<2-methoxy-4-methyl-5-(methylthio)phenyl>-2-propanone 在 盐酸 、 ammonium acetate 、 双氧水 、 sodium cyanoborohydride 作用下， 以 甲醇 为溶剂， 反应 72.67h， 生成 α,4-dimethyl-2-methoxy-5-(methylsulfinyl)benzeneethanamine
  参考文献：
  名称：

  Sulfur analogs of psychotomimetic agents. 2. Analogs of (2,5-dimethoxy-4-methylphenyl)- and of (2,5-dimethoxy-4-ethylphenyl)isopropylamine

  摘要：

  The two thio analogues of each of the well-known psychotomimetic drugs DOM [(2,5-dimethoxy-4-methylphenyl)isopropylamine] and DOET [(2,5-dimethoxy-4-ethylphenyl)isopropylamine] have been synthesized and pharmacologically evaluated in man. The 5-thio isomers are more potent as psychotomimetic agents than the 2-thio isomers but still represent a drop of an order of magnitude in potency from the sulfur-free counterparts. The dithio analogue of DOM was synthesized and found to be without central activity at a dosage of approximately 50 times the mean effective dose of DOM.

  DOI：

  10.1021/jm00359a021
• 作为产物：
  描述：

  3-甲基-4-甲硫基苯酚 在 氢氧化钾 、 ammonium acetate 、 铁粉 、 溶剂黄146 、 三氯氧磷 作用下， 以 甲醇 为溶剂， 反应 23.17h， 生成 1-<2-methoxy-4-methyl-5-(methylthio)phenyl>-2-propanone
  参考文献：
  名称：

  Sulfur analogs of psychotomimetic agents. 2. Analogs of (2,5-dimethoxy-4-methylphenyl)- and of (2,5-dimethoxy-4-ethylphenyl)isopropylamine

  摘要：

  The two thio analogues of each of the well-known psychotomimetic drugs DOM [(2,5-dimethoxy-4-methylphenyl)isopropylamine] and DOET [(2,5-dimethoxy-4-ethylphenyl)isopropylamine] have been synthesized and pharmacologically evaluated in man. The 5-thio isomers are more potent as psychotomimetic agents than the 2-thio isomers but still represent a drop of an order of magnitude in potency from the sulfur-free counterparts. The dithio analogue of DOM was synthesized and found to be without central activity at a dosage of approximately 50 times the mean effective dose of DOM.

  DOI：

  10.1021/jm00359a021

文献信息

• JACOB, P. ,, III;SHULGIN, A. T., J. MED. CHEM., 1983, 26, N 5, 746-752
  作者：JACOB, P. ,, III、SHULGIN, A. T.

  DOI：——

  日期：——