3-(hydroxymethyl)dibenzothiepin 5-oxide | 77167-92-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫平类
• 英文名称: 3-(hydroxymethyl)dibenzothiepin 5-oxide
• 英文别名: 3-hydroxymethyldibenzo[b,f]thiepin-5-oxide；3-Hydroxymethyldibenzo[b,f]thiepin 5-oxide；(11-oxobenzo[b][1]benzothiepin-2-yl)methanol
• CAS: 77167-92-1
• 化学式: C₁₅H₁₂O₂S
• 分子量: 256.325
• InChiKey: QYILYESZVGJJBO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  65.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(hydroxymethyl)dibenzothiepin 5-oxide 在 二甲基溴化硼 、 环己烯 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 以93%的产率得到3-(hydroxymethyl)dibenzothiepin
  参考文献：
  名称：

  Deoxygenation of sulfoxides with boron bromide reagents

  摘要：

  DOI：

  10.1021/jo00197a043
• 作为产物：
  描述：

  3-(hydroxymethyl)dibenzothiepin 、 3-hydroxymethyl-10,11-dihydrodibenzo[b,f]thiepin 以to obtain the title product (m.p., 146°-148° C.)的产率得到3-(hydroxymethyl)dibenzothiepin 5-oxide
  参考文献：
  名称：

  3-Hydroxymethyldibenzo[b,f]thiepins as prostaglandin antagonists

  摘要：

  制备了新型的3-羟甲基二苯并[b,f]噻吩及其衍生物，并用于治疗和控制过敏症状，如过敏性哮喘。

  公开号：

  US04237160A1

文献信息

• Dibenzo[b,f]thiepin-3-carboxaldehydes as prostaglandin antagonists
  申请人：Merck Frosst Canada, Inc.

  公开号：US04535171A1

  公开（公告）日：1985-08-13

  Novel dibenzo[b,f]thiepin-3-carboxaldehydes and derivatives are prepared and employed in the treatment and control of allergic conditions such as allergic asthma.

  小说dibenzo [b，f] thiepin-3-羰基醛和其衍生物被制备并用于治疗和控制过敏症，如过敏性哮喘。
• 3-Substituted dibenzo [b,f] thiepins, compositions containing them and their use as prostaglandin antagonists
  申请人：MERCK FROSST CANADA INC.

  公开号：EP0138532A2

  公开（公告）日：1985-04-24

  Dibenzo[b,f]thiepin-3-substituted derivatives having the formula: and their pharmaceutically acceptable salts are novel. They are made into pharmaceutical compositions and used in the treatment and control of allergic conditions such as allergic asthma. In the formula: Z is thio, sulfinyl or sulfonyl; X is N-R3 or where R3 is hydrogen, C1-4 alkyl, aryl, hydroxy, C1-4 alkoxy, C1-4 acyloxy, amino or C1-4 alkylamino; each of Y and T, independently of the other, is NR4, O or S, and each of R4 and R5, independently of the other, is hydrogen or C1-4 alkyl; and the broken line represents a possible bond between R4 and R5 when neither of them is hydrogen; each of R1 and R2, independently of the other, is hydrogen, halogen, amino, C1-4 alkyl, C1-4 alkanoyl, hydroxyl, C1-4 alkoxy, thio, C1-4 alkylthio, C1-4 alkylsulfinyl, C1-4 alkylsulfonyl, trifluoromethyl, trifluoromethylthio, cyano, nitro, C1-4 alkylamino, di(C1-4 alkyl)amino, benzyl, phenethyl or hydroxyalkyl; and the dotted line indicates either an olefinic bond or saturation at the 10-, 11-position.

  具有以下式子的二苯并[b,f]硫杂卓-3-取代衍生物及其药学上可接受的盐是新颖的： 的二苯并[b,f]硫杂卓-3-取代衍生物及其药学上可接受的盐类是新型的。它们可制成药物组合物，用于治疗和控制过敏性疾病，如过敏性哮喘。式中 Z 是硫基、亚砜基或磺酰基； X 是 N-R3 或 其中 R3 是氢、C1-4 烷基、芳基、羟基、C1-4 烷氧基、C1-4 乙酰氧基、氨基或 C1-4 烷基氨基；Y 和 T 各自独立地是 NR4、O 或 S，R4 和 R5 各自独立地是氢或 C1-4 烷基；当 R4 和 R5 都不是氢时，断线代表它们之间可能存在的键； R1 和 R2 各自独立地为氢、卤素、氨基、C1-4 烷基、C1-4 烷酰基、羟基、C1-4 烷氧基、硫代、C1-4 烷硫基、C1-4 烷基亚磺酰基、C1-4 烷基磺酰基、三氟甲基、三氟甲硫基、氰基、硝基、C1-4 烷氨基、二（C1-4 烷基）氨基、苄基、苯乙基或羟烷基；以及 虚线表示烯烃键或 10、11 位饱和。
• Cardiovascular composition
  申请人：MERCK FROSST CANADA INC.

  公开号：EP0166257A2

  公开（公告）日：1986-01-02

  A cardiovascular composition is disclosed which comprises a dibenzo-thiepin compound having the formula wherein: X is a C1-C4 hydrocarbon group, optionally containing O, N or CO; Z is S, SO, S02, CO, CR4R5 wherein R4 and R5 taken together form the group =O or =CHR6 wherein R6 is hydrogen or phenyl; R1 is, e.g., 5-tetrazolyl, 5-tetrazolylmethyl, and wherein m is an integer of from 0 to 4 and R7 is, e.g., hydroxy or loweralkoxy; R2 and R3 can each independently be hydrogen, halogen (F, Cl, Br or I), nitro, loweralkyl, amino, N-loweralkylamino, N,N-diloweralkylamino, loweralkanoyl, hydroxy, loweralkoxy, lower acyloxy, loweralkylthio, trifluoromethylthio, loweralkylsulfinyl, loweralkylsulfonyl, trifluoromethyl, or R2 and R3, when bonded to adjacent carbon atoms, can be joined to form a 5- or 6-membered hydrocarbon ring which can optionally contain a double bond, a carbonyl group, or a hydroxyl group; or a pharmaceutically acceptable salt thereof. The composition can additionally comprise an angiotensin converting enzyme (ACE) inhibitor. These compositions represent a novel therapeutic approach to thromboembolic diseases in man.

  本发明公开了一种心血管组合物，该组合物包含一种二苯并噻吩化合物，其式为 其中X是C1-C4烃基，可选含有O、N或CO； Z是S、SO、S02、CO、CR4R5，其中R4和R5共同形成基团=O或=CHR6，其中R6是氢或苯基； R1是5-四唑基、5-四唑甲基，以及 其中 m 是 0 至 4 的整数，R7 是，例如、羟基或低级烷氧基；低级烷基磺酰基、三氟甲基，或 R2 和 R3 与相邻碳原子结合时可形成 5 或 6 元烃环，该环可选择含有双键、羰基或羟基；或其药学上可接受的盐。组合物还可以包含血管紧张素转换酶（ACE）抑制剂。这些组合物代表了一种治疗人类血栓栓塞性疾病的新方法。
• 3-Hydroxymethyldibenzo(b,f)thiepins and dibenzo(b,f)thiepin-3-carboxaldehydes as prostaglandin antagonists, process for their preparation and pharmaceutical compositions
  申请人：MERCK SHARP & DOHME (I.A.) CORP.

  公开号：EP0029587B1

  公开（公告）日：1984-06-13
• GUINDON, YVAN;ATKINSON, J. G.;MORTON, H. E., J. ORG. CHEM., 1984, 49, N 23, 4538-4540
  作者：GUINDON, YVAN、ATKINSON, J. G.、MORTON, H. E.

  DOI：——

  日期：——