1,2,3,4-四氢-二苯[B,D]并噻吩 | 16587-33-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 中文名称: 1,2,3,4-四氢-二苯[B,D]并噻吩
• 中文别名: 1,2,3,4-四氢-二苯[b,d]并噻吩
• 英文名称: 1,2,3,4-tetrahydrodibenzothiophene
• 英文别名: 1,2,3,4-tetrahydro-dibenzothiophene；tetrahydrodibenzothiophene；1,2,3,4-tetrahydro-DBT；tetrahydro-DBT；1,2,3,4-THDBT
• CAS: 16587-33-0
• 化学式: C₁₂H₁₂S
• mdl: MFCD00957501
• 分子量: 188.293
• InChiKey: JCLPOPNXITXHOR-UHFFFAOYSA-N

物化性质

• 熔点：
  97-99 °C(Solv: ethanol (64-17-5))
• 沸点：
  180 °C(Press: 3.3 Torr)
• 密度：
  1.155 g/cm3(Temp: 416.8 °C)
• 保留指数：
  294.3

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  28.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  1,2,3,4-四氢-二苯[B,D]并噻吩 在 palladium on activated charcoal 作用下， 生成 二苯并噻吩
  参考文献：
  名称：

  Rabindran; Tilak, Proceedings - Indian Academy of Sciences, Section A, 1953, vol. 37, p. 564,567

  摘要：

  DOI：
• 作为产物：
  描述：

  2-溴氯苯 在 tris(dibenzylideneacetone)dipalladium (0) 、 双(2-二苯基磷苯基)醚 diphosphorus pentasulfide 、 六甲基二硅氧烷 、 caesium carbonate 作用下， 以 1,4-二氧六环 、 甲苯 为溶剂， 反应 21.0h， 生成 1,2,3,4-四氢-二苯[B,D]并噻吩
  参考文献：
  名称：

  Palladium-catalysed intramolecular enolate O-arylation and thio-enolate S-arylation: synthesis of benzo[b]furans and benzo[b]thiophenes

  摘要：

  Enolates derived from alpha-(ortho-haloaryl)-substituted ketones undergo palladium-catalysed C-O bond formation to deliver benzofuran products in good yield. A catalyst generated from Pd-2(dba)(3) and the ligand DPEphos effects the key bond formation to deliver a variety of substituted products from both cyclic and acyclic precursors. The analogous thio-ketones undergo C-S bond formation using identical reaction conditions and are converted to benzothiophene products. A cascade sequence that produces the required a-aryl ketones in situ has also been developed, although the substrate scope is more restricted. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.05.004

文献信息

• TROPAN COMPOUND
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1785421A1

  公开（公告）日：2007-05-16

  The conventional anticholinergic drugs for administration through inhalation have been considered to have the possibility of aggravating dysuria associated with prostatic hyperplasia mediated by blood, and it has been demanded that the conventional anticholinergic drugs for administration through inhalation will have to show reduced side effects or adverse ractions. The present invention relates to a compound represented by the general formula (I): (wherein A represents; and R1, R2, R3 and R1 each a hydrogen atom or a substituent; R5 is a substituent; X- is an anion;the symbol: denotes an exo-form or endo-form, or their mixture), its salt or solvation product thereof. They are useful as a prophylactic and/or therapeutic agent with reduced side effects or adverse reactions for the diseases mediated by the muscarinic receptor.

  传统的抗胆碱药物通过吸入给药被认为可能加重与前列腺增生相关的排尿困难，并要求传统的抗胆碱药物通过吸入给药必须显示减少副作用或不良反应。 本发明涉及一种由通式（I）表示的化合物： （其中A代表; 和R1、R2、R3和R1分别是氢原子或取代基; R5是取代基; X-是阴离子;符号: 表示外向型或内向型，或它们的混合物），其盐或溶剂化产物。它们可用作通过胆碱受体介导的疾病的预防和/或治疗剂，具有减少副作用或不良反应。
• HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE COMPRISING SAME
  申请人：EA PHARMA CO., LTD.

  公开号：US20160332999A1

  公开（公告）日：2016-11-17

  The present invention provides a compound represented by the formula (I): wherein each symbol is as defined in the DESCRIPTION, or a pharmaceutically acceptable salt thereof. The compound has a superior TRPA1 antagonist activity, and can provide a medicament useful for the prophylaxis or treatment of diseases involving TRPA1 antagonist and TRPA1.

  本发明提供了一种由公式(I)表示的化合物： 其中，每个符号如说明书中所定义，或者其药用可接受的盐。该化合物具有优越的TRPA1拮抗剂活性，并且可以提供一种用于预防或治疗涉及TRPA1拮抗剂和TRPA1的疾病的药物。
• CYCLOPROPANE DERIVATIVE AND DRUG CONTAINING SAME
  申请人：EA PHARMA CO., LTD.

  公开号：EP3330266A1

  公开（公告）日：2018-06-06

  A compound represented by the formula (I): wherein each symbol is as defined in the DESCRIPTION, or a pharmaceutically acceptable salt thereof has superior TRPA1 antagonist activity, and the compound or a pharmaceutically acceptable salt thereof is useful for the prophylaxis or treatment of diseases involving TRPA1 antagonist and TRPA1.

  化合物的化学式为(I)： 其中每个符号的定义如描述中所定义， 或其药学上可接受的盐具有优越的TRPA1拮抗活性，该化合物或其药学上可接受的盐对涉及TRPA1拮抗剂和TRPA1的疾病的预防或治疗是有用的。
• Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient
  申请人：Ohhata Akira

  公开号：US20050222138A1

  公开（公告）日：2005-10-06

  A nitrogen-containing bicyclic compound of formula (I) or a pharmaceutically acceptable salt thereof (wherein the symbols have the same meanings as described in the specification). The compound of formula (I) has an inhibitory activity against PDE7 and it is useful for the prevention and/or treatment of various diseases, i.e. autoimmune diseases (ulcerative colitis, Crohn's disease, rheumatism, psoriasis, multiple sclerosis, collagenosis, etc.), inflammatory diseases (obstructive pulmonary disease, sepsis, pancreatitis, sarcoidosis, nephritis, hepatitis, enteritis, etc.), allergic diseases (asthma, allergic rhinitis, allergic conjunctivitis, seasonal conjunctivitis, atopic dermatitis, etc.), rejection of organ transplants, serious graft versus host disease (GVHD), diabetic disease, osteoporosis, bone fracture, restenosis, atherosclerosis, obesity, ischemic reperfusion injury, depression, Parkinson's disease, dementia, leukemia, etc.

  化学式（I）的含氮双环化合物或其药用盐（其中符号的含义与说明书中描述的相同）。 化合物的化学式（I）具有对PDE7的抑制活性，对于预防和/或治疗各种疾病非常有用，即自身免疫性疾病（溃疡性结肠炎、克罗恩病、风湿病、牛皮癣、多发性硬化症、结缔组织病等）、炎症性疾病（慢性阻塞性肺病、败血症、胰腺炎、结节病、肾炎、肝炎、肠炎等）、过敏性疾病（哮喘、过敏性鼻炎、过敏性结膜炎、季节性结膜炎、特应性皮炎等）、器官移植排斥、严重移植物抗宿主病（GVHD）、糖尿病、骨质疏松症、骨折、再狭窄、动脉粥样硬化、肥胖症、缺血再灌注损伤、抑郁症、帕金森病、痴呆症、白血病等。
• [EN] PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF<br/>[FR] COMPOSÉS CONTENANT DE LA PIPÉRIDINE ET LEURS UTILISATIONS
  申请人：ARRAY BIOPHARMA INC

  公开号：WO2010080864A1

  公开（公告）日：2010-07-15

  A method for preventing and/or treating a metabolic disease, cerebrovascular disease, etc. which comprises administering to a mammal an effective amount of the compound of the formula (I) wherein all symbols have the same meanings as defined in the specification; a salt thereof, an N-oxide thereof, a solvate thereof, or a prodrug thereof. And a novel compound of the formula (I-1): wherein all symbols have the same meanings as defined in the specification; a salt thereof, an N-oxide thereof, a solvate thereof, or a prodrug thereof has an anti-diabetic effect and a neuroprotective effect. Accordingly, the compound of the formula (I) and the compound of the formula (I-1) are useful in a method for preventing and/or treating for a metabolic disease such as diabetes, cerebrovascular disease such as stroke, etc.

  一种预防和/或治疗代谢性疾病、脑血管疾病等的方法，包括向哺乳动物施用化合物的有效量，其化学式为(I)，其中所有符号的含义与规范中定义的相同；其盐、N-氧化物、溶剂合物或前药。以及化学式(I-1)的新化合物：其中所有符号的含义与规范中定义的相同；其盐、N-氧化物、溶剂合物或前药具有抗糖尿病作用和神经保护作用。因此，化合物(I)和化合物(I-1)在预防和/或治疗代谢性疾病如糖尿病、脑血管疾病如中风等方面是有用的。

表征谱图