3-methyl-4-(methylthio)phenyl N,N-dimethylthiocarbamate | 84910-78-1

• 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: 3-methyl-4-(methylthio)phenyl N,N-dimethylthiocarbamate
• 英文别名: O-(3-methyl-4-methylsulfanylphenyl) N,N-dimethylcarbamothioate
• CAS: 84910-78-1
• 化学式: C₁₁H₁₅NOS₂
• 分子量: 241.378
• InChiKey: HASFTFQEQMDEPA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  69.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-methyl-4-(methylthio)phenyl N,N-dimethylthiocarbamate 反应 0.05h， 以81%的产率得到3-methyl-4-(methylthio)phenyl N,N-dimethylthiocarbamate
  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 、 二甲氨基硫代甲酰氯 在 sodium hydride 作用下， 生成 3-methyl-4-(methylthio)phenyl N,N-dimethylthiocarbamate
  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：——
• Sulfur analogs of psychotomimetic agents. 2. Analogs of (2,5-dimethoxy-4-methylphenyl)- and of (2,5-dimethoxy-4-ethylphenyl)isopropylamine
  作者：Peyton Jacob、Alexander T. Shulgin

  DOI：10.1021/jm00359a021

  日期：1983.5

  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.