4-tert-butyl-2-chloro-6-morpholinomethyl-phenol | 102596-48-5

• 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: 4-tert-butyl-2-chloro-6-morpholinomethyl-phenol
• 英文别名: 4-tert-Butyl-2-chlor-6-morpholinomethyl-phenol；4-Tert-butyl-2-chloro-6-(morpholin-4-ylmethyl)phenol
• CAS: 102596-48-5
• 化学式: C₁₅H₂₂ClNO₂
• 分子量: 283.798
• InChiKey: GPVGEGNTDRCIPE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  32.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-叔丁基苯酚 在 chloroamine-T 、 sodium iodide 作用下， 以 乙二醇二甲醚 为溶剂， 反应 20.0h， 生成 4-tert-butyl-2-chloro-6-morpholinomethyl-phenol
  参考文献：
  名称：

  Synthesis, attempted kinetic resolution and evaluation of [123I]-MK-447 analogues as inflammation radiopharmaceuticals

  摘要：

  The non-steroidal anti-inflammatory agent 2-amino-methyl-4-tert-butyl-6-iodophenol hydrochloride (MK-447) and some of its analogues were labelled with I-123 and tested in an inflamed rat-paw model. Even though MK-447 has a significant anti-inflammatory activity, and a 2.3 ratio for inflamed site over muscle, its usefullness for scintigraphic detection of inflammation is hindered by its high uptake in the skin. The kinetic resolution of diastereomeric products with chiral dienyl iron complexes was unsuccessful as the signals from the respective H-1 and C-13 NMR spectra were coincident.

  DOI：

  10.1002/(sici)1099-1344(199709)39:9<711::aid-jlcr22>3.0.co;2-a

文献信息

• Sen; Madan, Journal of the Indian Chemical Society, 1959, vol. 36, p. 355
  作者：Sen、Madan

  DOI：——

  日期：——
• Synthesis, attempted kinetic resolution and evaluation of [123I]-MK-447 analogues as inflammation radiopharmaceuticals
  作者：Anna F. M. Siu、Richard M. Lambrecht、Jashovam Shani、Stephen G. Pyne、Leon A. P. Kane-Maguire

  DOI：10.1002/(sici)1099-1344(199709)39:9<711::aid-jlcr22>3.0.co;2-a

  日期：1997.9

  The non-steroidal anti-inflammatory agent 2-amino-methyl-4-tert-butyl-6-iodophenol hydrochloride (MK-447) and some of its analogues were labelled with I-123 and tested in an inflamed rat-paw model. Even though MK-447 has a significant anti-inflammatory activity, and a 2.3 ratio for inflamed site over muscle, its usefullness for scintigraphic detection of inflammation is hindered by its high uptake in the skin. The kinetic resolution of diastereomeric products with chiral dienyl iron complexes was unsuccessful as the signals from the respective H-1 and C-13 NMR spectra were coincident.