6-tert-butyl-8-chloro-3,4-dihydro-spiro[benzo[e][1,3]oxazine-2,1'-cyclohexane] | 61645-97-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 6-tert-butyl-8-chloro-3,4-dihydro-spiro[benzo[e][1,3]oxazine-2,1'-cyclohexane]
• 英文别名: 3,4-dihydro-6-(1,1-dimethylethyl)-8-chlorospiro[2H-1,3-benzoxazine-2,1'-cyclohexane]；6-Tert-butyl-8-chlorospiro[3,4-dihydro-1,3-benzoxazine-2,1'-cyclohexane]
• CAS: 61645-97-4
• 化学式: C₁₇H₂₄ClNO
• 分子量: 293.837
• InChiKey: CDBZSZYJKUDGGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6-tert-butyl-8-chloro-3,4-dihydro-spiro[benzo[e][1,3]oxazine-2,1'-cyclohexane] 、 water ethanol 生成 3,3-Dimethyl-3,4-dihydro-6-(1,1-dimethylethyl)-8-chlorospiro[2H-1,3-benzoxazinium-2,1'-cyclohexane] iodide
  参考文献：
  名称：

  Spirobenzoxazinium salts, method of use and compositions thereof as

  摘要：

  通过用烷基化试剂处理3,4-二氢螺环-2H-1,3-苯并噁嗪，制备了3,4-二氢螺环-2H-1,3-苯并噁嗪的四价盐。这些产物是降压药。

  公开号：

  US04067980A1
• 作为产物：
  描述：

  2-(aminomethyl)-6-chloro-4-(1,1-dimethylethyl)phenol 、 环己酮 以 苯 为溶剂， 反应 4.0h， 以93%的产率得到6-tert-butyl-8-chloro-3,4-dihydro-spiro[benzo[e][1,3]oxazine-2,1'-cyclohexane]
  参考文献：
  名称：

  2-(Aminomethyl)phenols, a new class of saluretic agents. 6. Effects of N,O-spiroannulation and subsequent quarternization

  摘要：

  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.

  DOI：

  10.1021/jm00358a024

文献信息

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

  DOI：——

  日期：——
• US4067980A
  申请人：——

  公开号：US4067980A

  公开（公告）日：1978-01-10
• US4070464A
  申请人：——

  公开号：US4070464A

  公开（公告）日：1978-01-24
• US4092414A
  申请人：——

  公开号：US4092414A

  公开（公告）日：1978-05-30
• 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.