2-(aminomethyl)-6-chloro-4-(1,1-dimethylethyl)phenol | 58456-93-2

• 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: 2-(aminomethyl)-6-chloro-4-(1,1-dimethylethyl)phenol
• 英文别名: 2-aminomethyl-4-(1,1-dimethylethyl)-6-chlorophenol；2-(Aminomethyl)-4-tert-butyl-6-chlorophenol
• CAS: 58456-93-2
• 化学式: C₁₁H₁₆ClNO
• 分子量: 213.707
• InChiKey: SGTQPEPZPLTJBA-UHFFFAOYSA-N

物化性质

• 沸点：
  289.0±35.0 °C(Predicted)
• 密度：
  1.145±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  46.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(aminomethyl)-6-chloro-4-(1,1-dimethylethyl)phenol 在 乌洛托品 作用下， 以 溶剂黄146 为溶剂， 反应 4.0h， 以65%的产率得到5-叔丁基-3-氯水杨醛
  参考文献：
  名称：

  Stokker, G. E.; Schultz, E. M., Synthetic Communications, 1982, vol. 12, # 11, p. 847 - 854

  摘要：

  DOI：
• 作为产物：
  描述：

  2-Aminomethyl-4-tert-butyl-6-chloro-phenol; hydrochloride 、 ammonium hydroxide 生成 2-(aminomethyl)-6-chloro-4-(1,1-dimethylethyl)phenol
  参考文献：
  名称：

  STOKKER, G. E.;SCHULTZ, E. M.;SMITH, R. L.;CRAGOE, E. J. ,, JR;RUSSO, H. +, J. MED. CHEM., 1983, 26, N 4, 585-590

  摘要：

  DOI：

文献信息

• Substituted 2-aminomethylphenyl sulfamates
  申请人：Merck & Co., Inc.

  公开号：US04113877A1

  公开（公告）日：1978-09-12

  Substituted 2-aminomethylphenyl sulfamates and pharmaceutically acceptable acid addition salts wherein the sulfamate group is N-substituted with up to 2 groups and the phenyl nucleus is further substituted by from 2 to 4 nuclear substituents which are useful as diuretics and saluretics are disclosed. The products may be prepared by reacting a N-protected substituted 2-aminomethylphenol with a substituted sulfamoyl chloride to generate an intermediate which is N-deblocked to give the compounds of this invention.

  揭示了替代的2-氨甲基苯磺酸酯和药用可接受的酸盐，其中苯磺酸酯基被N-取代基取代，最多可有2个基团，苯环进一步被从2到4个核取代基取代，这些产物可用作利尿剂和排钠剂。这些产物可以通过将N-保护的取代2-氨甲基苯酚与取代的磺酰氯反应以生成一个中间体，然后对其进行N-脱保护来制备本发明的化合物。
• Substituted 2-aminomethylphenyl sulfamates, process for preparing, and pharmaceutical compositions containing the same
  申请人：Merck & Co., Inc.

  公开号：EP0001266A1

  公开（公告）日：1979-04-04

  Substituted 2-aminomethylphenyl sulfamates and pharmaceutically acceptable acid addition salts wherein the sulfamate group is N-substituted with up to 2 groups and the phenyl nucleus is further substituted by from 2 to 4 nuclear substituents which are useful as diuretics and saluretics are disclosed. The products may be prepared by reacting a N-protected substituted 2-aminomethylphenol with a substituted sulfamoyl chloride to generate an intermediate which is N-deblocked to give the compounds of this invention.

  本发明公开了取代的 2-氨基甲基苯基氨基磺酸盐和药学上可接受的酸加成盐，其中氨基磺酸盐基团被最多 2 个基团 N 取代，苯基核进一步被 2 至 4 个核取代基取代，可用作利尿剂和盐水剂。 这些产品可通过使 N 保护的取代的 2-氨基甲基苯酚与取代的氨基磺酰氯反应生成中间体来制备，中间体经 N 解嵌后得到本发明的化合物。
• 2-(Aminomethyl)phenols, a new class of saluretic agents. 6. Effects of N,O-spiroannulation and subsequent quarternization
  作者：G. E. Stokker、E. M. Schultz、R. L. Smith、E. J. Cragoe、H. F. Russo、L. S. Watson、C. T. Ludden、C. S. Sweet

  DOI：10.1021/jm00358a024

  日期：1983.4

  The synthesis of a number of 3,4-dihydrospiro-2H-1,3-benzoxazines and their corresponding benzoxazinium salts are reported. The saluretic effects displayed by these N,O-spiroannulated 2-(aminomethyl)phenols appear to be, in part, inversely related to their respective in vivo rates of hydrolysis. Good antihypertensive effects are found only in spirobenzoxazinium 22. Thus, a combination of spiroannulation and quaternization on 2 to produce 22 leads to a loss of saluretic effects with maintenance of antihypertensive effects and, thereby, serves to separate these pharmacological properties.
• STOKKER G. E.; DEANA A. A.; SOLMS S. J. DE; SCHULTZ E. M.; SMITH R. L.; C+, J. MED. CHEM., 1980, 23, NO 12, 1414-1427,
  作者：STOKKER G. E.、 DEANA A. A.、 SOLMS S. J. DE、 SCHULTZ E. M.、 SMITH R. L.、 C+

  DOI：——

  日期：——
• STOKKER, G. E.;SCHULTZ, E. M., SYNTH. COMMUN., 1982, 12, N 11, 847-853
  作者：STOKKER, G. E.、SCHULTZ, E. M.

  DOI：——

  日期：——