4,7-dimethylbenzothiophene | 30566-10-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 4,7-dimethylbenzothiophene
• 英文别名: 4,7-dimethyl-1-benzothiophene
• CAS: 30566-10-0
• 化学式: C₁₀H₁₀S
• 分子量: 162.255
• InChiKey: BORXODZIQVCONU-UHFFFAOYSA-N

物化性质

• 沸点：
  261.9±9.0 °C(Predicted)
• 密度：
  1.114±0.06 g/cm3(Predicted)
• 保留指数：
  1410.4

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  28.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4,7-dimethylbenzothiophene 在 乙酸铵 、 正丁基锂 、 3-苄基羟乙基甲基噻唑氯化锂 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.25h， 生成 4-[5-(4,7-Dimethyl-benzo[b]thiophen-2-yl)-1H-pyrrol-2-yl]-benzoic acid methyl ester
  参考文献：
  名称：

  Discovery of Novel and Potent Retinoic Acid Receptor α Agonists:  Syntheses and Evaluation of Benzofuranyl-pyrrole and Benzothiophenyl-pyrrole Derivatives

  摘要：

  In the course of our studies on retinoic acid receptor (RAR) agonists, we have designed and synthesized a series of benzofuran and benzothiophene derivatives. Some of these compounds (1a,b,e,f,j) markedly inhibited LPS-induced B-lymphocyte proliferation and exerted RAR alpha selectivity. One of them, 4-[5-(4,7-dimethylbenzofuran-2-yl)pyrrol-2-yl]benzoic acid (1b), when orally administered significantly inhibited mouse antibody production and delayed type hypersensitivity (DTH) responses from a dose of 0.1 mg/kg.

  DOI：

  10.1021/jm000098s
• 作为产物：
  描述：

  2,5-二甲基苯硫酚 在 PPA 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 3.5h， 生成 4,7-dimethylbenzothiophene
  参考文献：
  名称：

  Discovery of Novel and Potent Retinoic Acid Receptor α Agonists:  Syntheses and Evaluation of Benzofuranyl-pyrrole and Benzothiophenyl-pyrrole Derivatives

  摘要：

  In the course of our studies on retinoic acid receptor (RAR) agonists, we have designed and synthesized a series of benzofuran and benzothiophene derivatives. Some of these compounds (1a,b,e,f,j) markedly inhibited LPS-induced B-lymphocyte proliferation and exerted RAR alpha selectivity. One of them, 4-[5-(4,7-dimethylbenzofuran-2-yl)pyrrol-2-yl]benzoic acid (1b), when orally administered significantly inhibited mouse antibody production and delayed type hypersensitivity (DTH) responses from a dose of 0.1 mg/kg.

  DOI：

  10.1021/jm000098s

文献信息

• [EN] ANTHELMINTIC COMPOUNDS, COMPOSITIONS AND METHOD OF USING THEREOF<br/>[FR] COMPOSÉS ANTHELMINTIQUES, COMPOSITIONS ET LEUR PROCÉDÉ D'UTILISATION
  申请人：MERIAL INC

  公开号：WO2016118638A1

  公开（公告）日：2016-07-28

  The present invention relates to novel anthelmintic compounds of formula (IA) below: wherein, Y is selected from the group consisting of -H, aryl, cycloalkyl, cycloalkenyl, heteroaryl, heterocyclyl, alkyl, haloalkyl, and alkoxyalkyl; and Z is selected from the group consisting of aryl, cycloalkyl, cycloalkenyl, heteroaryl, heterocyclyl, alkyl, haloalkyl, and alkoxyalkyl. Variables Ring A, Ring B, Ring C, X1, X6, and X8 are as defined herein. The invention also relates to parasiticidal compositions comprising the compounds, and methods and uses of the compounds for treating and preventing parasitic infections and infestations in animals.

  本发明涉及式(IA)的新型驱虫化合物：其中，Y选自-H、芳基、环烷基、环烯基、杂芳基、杂环基、烷基、卤代烷基和烷氧基烷基；Z选自芳基、环烷基、环烯基、杂芳基、杂环基、烷基、卤代烷基和烷氧基烷基。变量环A、环B、环C、X1、X6和X8如本文所定义。本发明还涉及包含这些化合物的杀虫组合物，以及使用这些化合物治疗和预防动物中的寄生虫感染和侵扰的方法和用途。
• [EN] BICYCLOHETEROARYL-HETEROARYL-BENZOIC ACID COMPOUNDS AS RETINOIC ACID RECEPTOR BETA (RARβ) AGONISTS<br/>[FR] COMPOSÉS DE TYPE ACIDE BICYCLOHÉTÉROARYL-HÉTÉROARYL-BENZOÏQUE UTILISÉS COMME AGONISTES DE RÉCEPTEURS BÊTA DE L'ACIDE RÉTINOÏQUE (RARΒ)
  申请人：KING S COLLEGE LONDON

  公开号：WO2016097004A1

  公开（公告）日：2016-06-23

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain bicycloheteroaryl-heteroaryl-benzoic acid compounds of the following formula (for convenience, collectively referred to herein as "BHBA compounds"), which, inter alia, are (selective) retinoic acid receptor beta (RARβ) (e.g., RARβ2) agonists. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to (selectively) activate RARβ (e.g., RARβ2), to cause or promote neurite development, neurite outgrowth, and/or neurite regeneration, and in the treatment of diseases and conditions that are mediated by RARβ (e.g., RARβ2), that are ameliorated by the activation of RARβ (e.g., RARβ2), etc., including, e.g., neurological injuries such as spinal cord injuries.

  本发明涉及治疗化合物领域，更具体地涉及以下公式的某些双环杂环芳基-杂环芳基-苯甲酸化合物（为方便起见，统称为“BHBA化合物”），它们是（选择性）视黄酸受体β（RARβ）（例如，RARβ2）激动剂。本发明还涉及包含这些化合物的药物组合物，以及利用这些化合物和组合物在体内外（选择性）激活RARβ（例如，RARβ2），导致或促进神经突起发育、神经突起和/或神经再生，以及治疗由RARβ（例如，RARβ2）介导的疾病和症状，通过RARβ（例如，RARβ2）激活而得到改善等，包括神经损伤如脊髓损伤。
• Cycloaddition reactions of 2,3-didehydrothiophene generated by flow vacuum thermolysis of thiophene-2,3-dicarboxylic anhydride
  作者：Manfred G. Reinecke、James G. Newsom、K.Anders Almqvist

  DOI：10.1016/0040-4020(81)85005-3

  日期：1981.1

  Flow vacuum thermolysis (FVT) of thiophene-2,3-dicarboxylic anhydride (2) in the presence of 2,3-dimethylbutadiene (6) gives, in addition to 5,6-dimethylthianaphthene (9). small quantities of a dihydrodimethylthianaphthene (12) and another dimethylthianaphthene (13) which is probably also formed by dehydrogenation of 12 with chloranil. The partial structures of these minor products are consistent with

  在2，3-二甲基丁二烯（6）的存在下，噻吩-2，3-二羧酸酐（2）的流式真空热解（FVT）除5,6-二甲基噻吩（9）外还产生。少量的二氢二甲基噻吩（12）和另一种二甲基噻吩（13），也可能是通过用氯乙腈将12脱氢而形成的。这些次要产物的部分结构与它们的形成是一致的，它们是由6与中间体亚芳基2,3-二氢噻吩（1）之间的[2 + 2]-环加成反应，然后重排生成的加合物11和进行脱氢而形成的。在2,5-（17b）或3,4-二甲基噻吩（17c）存在下的FVT为2时，也得到了二甲基噻吩的混合物（1822，23），这可以合理地认为是由芳烃1与噻吩17的[4 + 2]-和两个[2 + 2]-环加成引起的，随后进行了脱硫。证明了产物18、22和23缺乏平衡，并且讨论了它们的来源作为芳烃1的结构和反应性的函数。
• [EN] POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY<br/>[FR] COMPOSÉ POLYMÉRISABLE ET CORPS OPTIQUEMENT ANISOTROPE
  申请人：DAINIPPON INK & CHEMICALS

  公开号：WO2017079867A1

  公开（公告）日：2017-05-18

  There is provided a polymerizable composition, by which discoloration or alignment defects are less likely to occur when a filmy polymer, which is obtained by adding a polymerizable compound to the polymerizable composition and polymerizing this composition, is irradiated with ultraviolet light. There are also provided a polymer obtained by polymerizing the polymerizable composition, and an optically anisotropic body using the polymer. The present invention provides a polymerizable low-wavelength dispersive or polymerizable reverse-wavelength dispersive compound having a partial structure represented by Formula (Z-0). Further, the present invention provides a composition containing the compound; a polymer obtained by polymerizing the composition; and an optically anisotropic body obtained by using the polymer.

  提供一种可聚合的组合物，通过该组合物得到的薄膜聚合物在紫外光照射时，不太容易发生变色或排列缺陷。还提供了通过聚合该聚合物组合物得到的聚合物，以及使用该聚合物的光学各向异性体。本发明提供了一种具有由式（Z-0）表示的部分结构的可聚合低波长色散或可聚合反波长色散化合物。此外，本发明提供了一种含有该化合物的组合物；通过聚合该组合物得到的聚合物；以及通过使用该聚合物得到的光学各向异性体。
• SULTAM DERIVATIVES
  申请人：MAEKAWARA Naomi

  公开号：US20090192154A1

  公开（公告）日：2009-07-30

  A sultam derivative of Formula (1) described below having inhibitory action for aggrecanase activity is provided. The sultam derivative of Formula (1) and a salt thereof exhibit strong inhibitory action for aggrecanase activity in a living body of a mammalian animal including human, and is useful, for example, as an active ingredient of a pharmaceutical agent for preventing and/or treating various diseases caused by degradation of aggrecan.

  提供一种以下式（1）描述的磺酰胺衍生物，具有对聚集素酶活性的抑制作用。该式（1）的磺酰胺衍生物及其盐在哺乳动物包括人类的活体内表现出对聚集素酶活性的强抑制作用，并且可用作制药剂的活性成分，用于预防和/或治疗由聚集素降解引起的各种疾病。