ethyl (1,4-benzodioxan-2-yl)acetimidate hydrochloride | 3789-55-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: ethyl (1,4-benzodioxan-2-yl)acetimidate hydrochloride
• 英文别名: ethyl (1,4-benzodioxan-2yl)acetimidate hydrochloride；ethyl 2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanimidate;hydrochloride
• CAS: 3789-55-7
• 化学式: C₁₂H₁₅NO₃*ClH
• 分子量: 257.717
• InChiKey: ONTSLKXTJYIGQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.65
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  51.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl (1,4-benzodioxan-2-yl)acetimidate hydrochloride 在 盐酸 、 sodium hydride 作用下， 反应 43.0h， 生成 1-benzyl-2-(1,4-benzodioxan-2-ylmethyl)imidazole
  参考文献：
  名称：

  Structure-activity relationships for 2-substituted imidazoles as .alpha.2-adrenoceptor antagonists

  摘要：

  Several 2-[(1,4-benzodioxan-2-yl)alkyl]imidazoles were prepared and evaluated for their blocking activity and relative selectivity on presynaptic (alpha 2) and postsynaptic (alpha 1) receptors in the isolated rat vas deferens. 1-Ethyl-2-[(1,4-benzodioxan 2-yl)methyl]imidazole (13) was the most selective alpha 2-adrenoceptor antagonist of the series and was, for practical purposes, devoid of alpha 1-adrenoceptor antagonist activity. The lipophilicity of 13 (log D = 2.31) indicated that it would have an excellent chance to enter the central nervous system. Compound 13 was selected for clinical evaluation as an antidepressant agent.

  DOI：

  10.1021/jm00348a012
• 作为产物：
  描述：

  (2,3-二氢苯并[1,4]二恶烷-2-基)乙腈 以59的产率得到ethyl (1,4-benzodioxan-2-yl)acetimidate hydrochloride
  参考文献：
  名称：

  2-(1,4-Benzodioxan-2-ylalkyl)imidazoles useful as antidepressants

  摘要：

  具有下列通式的2-(1,4-苯并二氧杂环戊烷-2-基烷基)咪唑类化合物：##STR1## 其中R.sup.1，R.sup.2和R.sup.3独立地选择自氢和烷基的群体，n是等于0、1或2的整数，以及其药学上可接受的酸盐是一种抗抑郁药。

  公开号：

  US04302469A1

文献信息

• 2-(1,4-Benzodioxan-2-ylalkyl)benzimidazoles useful as anti-depressants
  申请人：Syntex (U.S.A.) Inc.

  公开号：US04301171A1

  公开（公告）日：1981-11-17

  Compounds of the formula ##STR1## and the pharmaceutically acceptable, non-toxic salts thereof, wherein: R is hydrogen, lower alkyl, or benzyl; X is a substitution for hydrogen at any position in the benzene ring and is selected from the group consisting of lower alkyl, lower alkoxyl, benzyl and halo; m is an integer from 0 to 4; and n is an integer from 0 to 2; are novel. These compounds have been shown to be .alpha..sub.2 blockers, and are, therefore, anti-depressants.

  公式为##STR1##的化合物及其药学上可接受的无毒盐，其中：R为氢、低碳基或苄基；X为苯环中任何位置的氢的替代物，选自低碳基、低碳氧基、苄基和卤素；m为0至4的整数；n为0至2的整数；是新颖的。这些化合物已被证明是α2受体阻滞剂，因此是抗抑郁药。
• 2-(1,4-Benzodioxan-2-ylalkyl)imidazoles useful as antihypertensives and
  申请人：Syntex (U.S.A.) Inc.

  公开号：US04497818A1

  公开（公告）日：1985-02-05

  2-(1,4-Benzodioxan-2-ylalkyl)imidazoles having the general formula: ##STR1## wherein R.sup.1, and R.sup.2 and R.sup.3 are independently selected from the group consisting of hydrogen, and alkyl (1-6C), and wherein n is an integer equal to 0, 1 or 2, and the pharmaceutically acceptable acid addition salts thereof, are .alpha..sub.2 blockers and thus are useful as affectors of the CNS, specifically as platelet aggregation inhibitors and as antihypertensives.

  具有通式：##STR1##其中R.sup.1、R.sup.2和R.sup.3独立地选自氢、烷基（1-6C）的群，n是等于0、1或2的整数，以及其药学上可接受的酸盐，是.alpha..sub.2阻滞剂，因此可用作影响中枢神经系统的药物，具体用途为血小板聚集抑制剂和降压剂。
• 2-(1,4-Benzodioxan-2-ylalkyl)imidazoles
  申请人：Syntex (U.S.A.) Inc.

  公开号：US04315021A1

  公开（公告）日：1982-02-09

  2-(1,4-Benzodioxan-2-ylalkyl)imidazoles having the general formula ##STR1## wherein R.sup.1 and R.sup.2 are each independently selected from the group consisting of hydrogen, alkyl, optionally substituted phenyl, and optionally substituted phenyl lower alkyl; R.sup.3 is hydrogen, alkyl, or optionally substituted phenyl lower alkyl; n is an integer equal to 0, 1 or 2; with the proviso that R.sup.1, R.sup.2 and R.sup.3 cannot all be hydrogen and/or alkyl; and the pharmaceutically acceptable acid addition salts thereof, are useful as antidepressants.

  具有一般式##STR1##的2-(1,4-苯并二氧杂环戊烷-2-基烷基)咪唑化合物，其中R.sup.1和R.sup.2各自独立地选自氢、烷基、可选取代的苯基和可选取代的苯基低烷基；R.sup.3为氢、烷基或可选取代的苯基低烷基；n为0、1或2的整数；但R.sup.1、R.sup.2和R.sup.3不能全都是氢和/或烷基；以及其药学上可接受的酸盐，可用作抗抑郁剂。
• KLUGE, A. F.;STROSBERG, A. M.;WHITING, R.;CHRISTIE, G.
  作者：KLUGE, A. F.、STROSBERG, A. M.、WHITING, R.、CHRISTIE, G.

  DOI：——

  日期：——
• CAROON, J. M.;CLARK, R. D.;KLUGE, A. F.;OLAH, R.;REPKE, D. B.;UNGER, S. H+, J. MED. CHEM., 1982, 25, N 6, 666-670
  作者：CAROON, J. M.、CLARK, R. D.、KLUGE, A. F.、OLAH, R.、REPKE, D. B.、UNGER, S. H+

  DOI：——

  日期：——