(2,3-二氢苯并[1,4]二恶烷-2-基)乙腈 | 18505-91-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 中文名称: (2,3-二氢苯并[1,4]二恶烷-2-基)乙腈
• 中文别名: (2,3-二氢-苯并[1,4]二噁英-2-基)-乙腈
• 英文名称: 2-(2,3-Dihydro-1,4-benzodioxin-2-yl)acetonitrile
• 英文别名: 2-cyanomethyl-2,3-dihydro-1,4-benzodioxin；2-(cyanomethyl)-2,3-dihydrobenzo[1,4]dioxine；2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)acetonitrile；1,4-Benzodioxan-essigsaeure-(2)-nitril；(2,3-dihydro-benzo[1,4]dioxin-2-yl)-acetonitrile；2-cyanomethyl-(2,3-dihydrobenzo[1,4]dioxane)；1,4-benzodioxan-2-yl-acetonitrile；2,3-Dihydro-1,4-benzodioxin-2-ylacetonitrile；2-(2,3-dihydro-1,4-benzodioxin-3-yl)acetonitrile
• CAS: 18505-91-4
• 化学式: C₁₀H₉NO₂
• mdl: MFCD01175148
• 分子量: 175.187
• InChiKey: PWZFEIJALHLRKF-UHFFFAOYSA-N

物化性质

• 熔点：
  65-66 °C(Solv: isopropanol (67-63-0))
• 沸点：
  326.7±21.0 °C(Predicted)
• 密度：
  1.173±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  42.2
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2932999099

反应信息

• 作为反应物：
  描述：

  (2,3-二氢苯并[1,4]二恶烷-2-基)乙腈 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 114.0h， 生成 2-<(1,4-benzodioxan-2-yl)methyl>benzimidazole
  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：

  1,4-苯并二氧六环-2-甲酸乙酯 在 N-溴代丁二酰亚胺(NBS) 、 lithium aluminium tetrahydride 、 三苯基膦 作用下， 以 四氢呋喃 、 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 反应 78.5h， 生成 (2,3-二氢苯并[1,4]二恶烷-2-基)乙腈
  参考文献：
  名称：

  Design and synthesis of substituted compounds containing the 1,4-benzodioxin subunit. New potential calcium antagonists

  摘要：

  New compounds possessing 1,4-benzodioxin or its saturated analogous heterocyclic system were synthesized and tested for calcium antagonist activity. Biological differences were seen between the different modifications applied. These compounds have been shown to be representative of a novel series of calcium channel antagonists. (C) 2000 editions scientifiques et medicates Elsevier SAS.

  DOI：

  10.1016/s0223-5234(00)00164-1

文献信息

• N-Oxacyclic-alkylpiperidines as psychostimulants
  申请人：Ciba-Geigy Corporation

  公开号：US04329348A1

  公开（公告）日：1982-05-11

  N-Oxacyclic-alkylpiperidyl-diazacompounds, e.g., those of the formula ##STR1## and salts thereof are antidepressants and psychostimulants.

  N-Oxacyclic-alkylpiperidyl-diazacompounds，例如，具有以下结构式##STR1##的化合物及其盐是抗抑郁药和精神刺激剂。
• 2-Piperidinoalkyl-1,4-benzodioxans
  申请人：Ciba-Geigy Corporation

  公开号：US04039676A1

  公开（公告）日：1977-08-02

  2-Piperidinoalkyl-1,4 benzodioxans, e.g. those of the formula ##STR1## AND ACID ADDITION SALTS THEREOF ARE NEUROLEPTIC AGENTS.

  2-哌啶基烷基-1,4-苯并二噁烷，例如式##STR1##及其酸盐是神经阻滞剂。
• Neuroleptic 2-piperidinoalkyl-1,4-benzodioxans
  申请人：Ciba-Geigy Corporation

  公开号：US04129655A1

  公开（公告）日：1978-12-12

  2-Piperidinoalkyl-1,4-benzodioxans, e.g. those of the formula ##STR1## and acid addition salts thereof are neuroleptic agents.

  2-哌啶基烷基-1,4-苯并二氧杂环己烷，例如式##STR1##及其酸盐是神经阻滞剂。
• [EN] SULFAMATE AND SULFAMIDE DERIVATIVES FOR THE TREATMENT OF EPILEPSY AND RELATED DISORDERS<br/>[FR] DÉRIVÉS DE SULFAMATE ET DE SULFAMIDE POUR LE TRAITEMENT DE L'ÉPILEPSIE ET DE TROUBLES APPARENTÉS
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2006007435A1

  公开（公告）日：2006-01-19

  The present invention is directed to novel sulfamide and sulfamate derivatives, pharmaceutical composlons containing them and their use in the treatment of epilepsy and related disorders.

  本发明涉及新型磺胺酰胺和磺酸酯衍生物，包含它们的药物组合物以及它们在治疗癫痫和相关疾病中的用途。
• USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR LOWERING LIPIDS AND LOWERING BLOOD GLUCOSE LEVELS
  申请人：Smith-Swintosky L. Virginia

  公开号：US20070155821A1

  公开（公告）日：2007-07-05

  The present invention is a method for the glucose related disorders and lipid related disorders comprising administering to a subject in need thereof a therapeutically effective amount of one or more novel benzo-fused heterocycle sulfamide derivatives of formula (I) or formula (II) as herein defined. The present invention is further directed to methods of treatment comprising co-therapy with an anti-diabetic agent, and anti-lipid agent and/or an anti-obesity agent.

  本发明涉及一种治疗葡萄糖相关疾病和脂质相关疾病的方法，包括向需要的受试者施用一种或多种新型苯并杂环磺胺衍生物的治疗有效量，其化学结构如公式(I)或公式(II)所定义。本发明还涉及治疗方法，包括与抗糖尿病药物、抗脂质药物和/或抗肥胖药物联合治疗。