LQM301 | 885946-47-4

• 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: LQM301
• 英文别名: 4-Chloro-2-(thiomorpholin-4-ylmethyl)phenol
• CAS: 885946-47-4
• 化学式: C₁₁H₁₄ClNOS
• 分子量: 243.757
• InChiKey: UQMUMNHHVWCVRR-UHFFFAOYSA-N

物化性质

• 熔点：
  127-129 °C(Solv: methanol (67-56-1))
• 沸点：
  370.1±42.0 °C(Predicted)
• 密度：
  1.312±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  48.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  硫代吗啉 、 聚合甲醛 、 对氯苯酚 反应 0.12h， 以60%的产率得到LQM301
  参考文献：
  名称：

  Synthesis and antihypertensive effects of new methylthiomorpholinphenol derivatives

  摘要：

  We present in this work the synthesis and cardiovascular effects of new methylthiomorpholine compounds and they were compared with cardiovascular drugs such as captopril, losartan and omapatrilat. (c) 2007 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2007.04.003

文献信息

• Regioselective Mannich Reaction of Phenols under High Pressure Using Dichloromethane as C1 Unit
  作者：Kiyoshi Matsumoto、Kouta Joho、Seisuke Mimori、Hirokazu Iida、Hiroshi Hamana、Akikazu Kakehi

  DOI：10.3987/com-08-s(n)111

  日期：——

  Regioselectivity in Mannich reaction of 4-, 3-, and 2-substituted phenols with typical heterocyclic amines are investigated under reaction conditions developed by Lis. Phenol and 4-alkyl, and 4-chlorophenols in the title reaction predominantly gave the corresponding 2-(aminometllyl)phenols, while 4-methoxyphenol afforded, in addition to the mono(aminomethyl) phenols, a considerable amount of the bis adducts. Peculiarly enough, 3-methylphenol with amines afforded 3-methyl-4-(aminomethyl) phenols whereas 2-methylphenol produced 2-methyl-6-(aminomethyl)phenols.
• Synthesis and antihypertensive effects of new methylthiomorpholinphenol derivatives
  作者：A. Ma. Velázquez、L. Martínez、V. Abrego、M.A. Balboa、L.A. Torres、B. Camacho、S. Díaz-Barriga、A. Romero、R. López-Castañares、E. Angeles

  DOI：10.1016/j.ejmech.2007.04.003

  日期：2008.3

  We present in this work the synthesis and cardiovascular effects of new methylthiomorpholine compounds and they were compared with cardiovascular drugs such as captopril, losartan and omapatrilat. (c) 2007 Elsevier Masson SAS. All rights reserved.