benzo[f][1,4]thiazepine-3,5-dione | 92970-91-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫氮卓类
• 英文名称: benzo[f][1,4]thiazepine-3,5-dione
• 英文别名: Benzo[f][1,4]thiazepin-3,5-dion；2,3,4,5-tetrahydro-1,4-benzothiazepine-3,5-dione；<1,4>Benzothiazepin-3,5-dion；1,4-Benzothiazepine-3,5(2H,4H)-dione；1,4-benzothiazepine-3,5-dione
• CAS: 92970-91-7
• 化学式: C₉H₇NO₂S
• 分子量: 193.226
• InChiKey: MVKZQRWWOROTJU-UHFFFAOYSA-N

物化性质

• 沸点：
  410.7±38.0 °C(Predicted)
• 密度：
  1.355±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  71.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  benzo[f][1,4]thiazepine-3,5-dione 在 potassium carbonate 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 6.5h， 生成 4,5-二氢-1,4-苯并氧氮杂卓-3(2H)-酮
  参考文献：
  名称：

  Synthesis, SAR studies, and evaluation of 1,4-benzoxazepine derivatives as selective 5-HT1A receptor agonists with neuroprotective effect: Discovery of Piclozotan

  摘要：

  A new series of 1,4-benzoxazepine derivatives was designed, synthesized, and evaluated for binding to 5-HT1A receptor and cerebral anti-ischemic effect. A lot of compounds exhibited nanomolar affinity for 5-HT1A receptor with good selectivity over both dopamine D, and alpha(1)-adrenergic receptors. Among these compounds, 3-chloro-4-[4-[4-(2-pyridinyl)-1,2,3,6-tetrahydropyridin-1-y]butyl]-1, 4-benzoxazepin-5(4H)-one (50: SUN N4057 (Piclozotan) as 2HCl salt) showed remarkable neuroprotective activity in a transient middle cerebral artery occlusion (t-MCAO) model. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.10.046
• 作为产物：
  描述：

  <2-Carbamoyl-phenylmercapto>-essigsaeure 在 乙酸酐 、 甲苯 作用下， 生成 benzo[f][1,4]thiazepine-3,5-dione
  参考文献：
  名称：

  McClelland et al., Journal of the Chemical Society, 1948, p. 81,84

  摘要：

  DOI：

文献信息

• PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES
  申请人：Deng Shixian

  公开号：US20090227788A1

  公开（公告）日：2009-09-10

  The invention provides a process for preparing a 2,3,4,5-tetrahydro[1,4]benzothiazepine of formula: by reacting a [2-(acylaminoethyl)thio]arene of formula with an aldehyde or a multimer thereof, and with an acid. The invention also provides for first reacting the [2-(acylaminoethyl)thio]arene with the aldehyde or multimer thereof and a base to form an [N-hydroxymethyl-2-[acylaminoethyl)thio]arene of formula then treating the [N-hydroxymethyl-2-(acylaminoethyl)thio]arene with the acid to form the 2,3,4,5-tetrahydro[1,4]benzothiazepine.

  该发明提供了一种制备2,3,4,5-四氢[1,4]苯并噻吩的方法，通过将式中的[2-(酰胺基乙基)硫]芳烃与醛或其多聚物以及酸反应。该发明还提供了首先将[2-(酰胺基乙基)硫]芳烃与醛或其多聚物以及碱反应以形成式的[N-羟甲基-2-(酰胺基乙基)硫]芳烃，然后用酸处理[N-羟甲基-2-(酰胺基乙基)硫]芳烃以形成2,3,4,5-四氢[1,4]苯并噻吩。
• Condensed heterocyclic compounds and psychopharmaceutical composition
  申请人：Suntory Limited

  公开号：US05158947A1

  公开（公告）日：1992-10-27

  A condensed heterocyclic compound having the formula (I): ##STR1## wherein A and B are both carbonyl groups of one thereof represents a methylene group and the other represents a carbonyl group; Z represents an oxygen atom, a sulfur atom, a substituted or unsubstituted nitrogen atom, or a methylene group; n is an integer of 2 to 6; and R represents a group having the following formula: ##STR2## wherein R.sup.1 represents a hydrogen atom or a hydroxyl group; R.sup.2 represents a substituted or unsubstituted phenyl or 2-pyridyl group or salts thereof. The compounds according to the present invention exhibit a strong affinity to the .sigma.-receptor and are useful as psychopharmaceuticals.

  一种具有以下式子（I）的浓缩杂环化合物：##STR1## 其中A和B都是一个羰基基团，其中一个代表一个亚甲基基团，另一个代表一个羰基基团；Z代表氧原子，硫原子，取代或未取代的氮原子或亚甲基基团；n为2到6的整数；R代表具有以下式子的基团：##STR2## 其中，R.sup.1代表氢原子或羟基；R.sup.2代表取代或未取代的苯基或2-吡啶基或其盐。本发明的化合物具有对σ-受体的强亲和力，可用作精神药物。
• [EN] PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES<br/>[FR] PROCÉDÉ POUR PRÉPARER DES BENZOTHIAZÉPINES À PARTIR DE GAMMA-AMINOALKYLBENZÈNES
  申请人：ARMGO PHARMA INC

  公开号：WO2009111463A1

  公开（公告）日：2009-09-11

  The invention provides a process for preparing a 2,3,4,5-tetrahydro[1,4]benzothiazepine of formula: [I] by reacting a [2-(acylaminoethyl)thio]arene of formula [II] with an aldehyde or a multimer thereof, and with an acid. The invention also provides for first reacting the [2-(acylaminoethyl)thio]arene with the aldehyde or multimer thereof and a base to form an [N-hydroxymethyl-2-[acylaminoethyl)thio]arene of formula [III]; then treating the [N-hydroxymethyl-2-(acylaminoethyl)thio]arene with the acid to form the 2,3,4,5-tetrahydro[1,4]benzothiazepine.

  本发明提供了一种制备式为[I]的2,3,4,5-四氢[1,4]苯并噻吩的方法，该方法通过将式[II]的[2-(酰胺基乙基)硫]芳烃与醛或其多聚物以及酸反应而得到。本发明还提供首先将[2-(酰胺基乙基)硫]芳烃与醛或其多聚物以及碱反应以形成式[III]的[N-羟甲基-2-(酰胺基乙基)硫]芳烃；然后用酸处理[N-羟甲基-2-(酰胺基乙基)硫]芳烃以形成2,3,4,5-四氢[1,4]苯并噻吩。
• Heterocyclic compound and psychopharmaceutical composition containing same
  申请人：SUNTORY LIMITED

  公开号：EP0463810A1

  公开（公告）日：1992-01-02

  A condensed heterocyclic compound having the formula (I): wherein A and B are both carbonyl groups or one thereof represents a methylene group and the other represents a carbonyl group; Z represents an oxygen atom, a sulfur atom, a substituted or unsubstituted nitrogen atom, or a methylene group; n is an integer of 2 to 6; and R represents a group having the following formula: wherein R¹ represents a hydrogen atom or a hydroxyl group; R² represents a substituted or unsubstituted phenyl or 2-pyridyl group or salts thereof. The compounds exhibit a strong affinity to the σ-receptor and are useful as psychopharmaceuticals.

  具有式 (I) 的缩合杂环化合物： 其中 A 和 B 都是羰基，或其中一个代表亚甲基，另一个代表羰基；Z 代表氧原子、硫原子、取代或未取代的氮原子或亚甲基；n 是 2 到 6 的整数；R 代表具有下式的基团： 其中 R¹ 代表氢原子或羟基；R² 代表取代或未取代的苯基或 2-吡啶基或其盐类。 这些化合物对 σ 受体有很强的亲和力，可用作精神药物。
• Fused 7-membered cyclic compound and antipsychotic preparation containing the same
  申请人：SUNTORY LIMITED

  公开号：EP0444924B1

  公开（公告）日：1996-01-03