2-methylbenzothiophene-5-carbonitrile | 122081-69-0

• 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: 2-methylbenzothiophene-5-carbonitrile
• 英文别名: 2-methylbenzo[b]thiophene-5-carbonitrile；2-Methyl-1-benzothiophene-5-carbonitrile
• CAS: 122081-69-0
• 化学式: C₁₀H₇NS
• 分子量: 173.238
• InChiKey: ILUVXNRAVVBXJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  52
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-methylbenzothiophene-5-carbonitrile 在 cesium fluoride 、 lithium tert-butoxide 作用下， 以 甲醇 、 正己烷 为溶剂， 150.0 ℃ 、101.33 kPa 条件下， 反应 13.0h， 生成 methyl 5-cyano-2-(2-methoxy-2-oxoethyl)benzo[b]thiophene-3-carboxylate
  参考文献：
  名称：

  使用LiO- t -Bu / CsF的2-烷基杂芳烃中两个C–H键的双羧基化

  摘要：

  我们描述了使用LiO- t -Bu和CsF的组合，在2-烷基杂芳烃中的两个C–H键（即在苄基和β位置）的双羧基化。各种各样的底物，即苯并噻吩，噻吩，苯并呋喃，呋喃和吲哚衍生物，都可以有效地转化为双羧基化产物。多种功能（例如，甲基，甲氧基，卤素，氰基，酯，酮和酰胺部分）具有良好的耐受性。

  DOI：

  10.1021/acs.orglett.9b01386
• 作为产物：
  描述：

  4-hydroxy-2-methyl-6,7-dihydrobenzothiophene-5-carbonitrile 在 palladium on activated charcoal 对甲苯磺酸 作用下， 以 萘烷 、 苯 为溶剂， 反应 10.0h， 生成 2-methylbenzothiophene-5-carbonitrile
  参考文献：
  名称：

  Datta, Sumana; De, Asish, Journal of the Chemical Society. Perkin transactions I, 1989, # 3, p. 603 - 607

  摘要：

  DOI：

文献信息

• THIADIAZOLE ANALOGS THEREOF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED-CONDITIONS
  申请人：AXFORD Jake

  公开号：US20140206661A1

  公开（公告）日：2014-07-24

  The present invention provides a compound of Formula (X) or a pharmaceutically acceptable salt thereof; a method for manufacturing the compounds of the invention, and its therapeutic uses. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.

  本发明提供了一种公式（X）的化合物或其药用盐；一种制造本发明化合物的方法及其治疗用途。本发明进一步提供了一种药物活性剂的组合物和一种药物组合物。
• [EN] COMPOUNDS WHICH INHIBIT TRYPTASE ACTIVITY<br/>[FR] COMPOSES INHIBANT L'ACTIVITE DE LA TRYPTASE
  申请人：ARRAY BIOPHARMA, INC.

  公开号：WO1999024395A1

  公开（公告）日：1999-05-20

  (EN) The present invention is directed to compounds which are capable of inhibiting the activity of tryptase. Such compounds are useful in the treatment or prevention of inflammatory disease, particularly those disease states which are mediated by mast cell activation. Also encompassed by the invention are formulations comprising the noted compound, processes for preparing such compounds and methods for treating or preventing an inflammatory disease.(FR) La présente invention concerne des composés capables d'inhiber l'activité de la tryptase. Ces composés sont utiles dans le traitement ou la prévention de maladies inflammatoires, notamment des états pathologiques induits par l'activation des mastocytes. L'invention concerne également des formulations comprenant les composés précités, des processus permettant de les préparer et des procédés de traitement et de prévention d'une maladie inflammatoire.

  (EN) 本发明涉及能够抑制组胺酸酶活性的化合物。这些化合物在治疗或预防炎症性疾病方面是有用的，特别是那些通过肥大细胞激活介导的疾病状态。本发明还包括含有上述化合物的配方、制备这些化合物的过程以及治疗或预防炎症性疾病的方法。 (FR) 本发明涉及能够抑制组胺酸酶活性的化合物。这些化合物在治疗或预防炎症性疾病方面是有用的，特别是那些通过肥大细胞激活介导的疾病状态。本发明还包括含有上述化合物的配方、制备这些化合物的过程以及治疗或预防炎症性疾病的方法。
• ORGANIC TRANSISTOR, COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL FOR NON-LIGHT-EMITTING ORGANIC SEMICONDUCTOR DEVICE, MATERIAL FOR ORGANIC TRANSISTOR, COATING LIQUID FOR NON-LIGHT-EMITTING ORGANIC SEMICONDUCTOR DEVICE, METHOD FOR MANUFACTURING ORGANIC TRANSISTOR, METHOD FOR MANUFACTURING ORGANIC SEMICONDUCTOR FILM, ORGANIC SEMICONDUCTOR FILM FOR NON-LIGHT-EMITTING ORGANIC SEMICONDUCTOR DEVICE, AND METHOD FOR SYNTHESIZING ORGANIC SEMICONDUCTOR MATERIAL
  申请人：Fujifilm Corporation

  公开号：EP3125322A1

  公开（公告）日：2017-02-01

  Provided are an organic transistor with high carrier mobility having a semiconductor active layer containing a compound which is represented by the following formula and has a molecular weight of equal to or less than 3,000, a compound, an organic semiconductor material for a non-light-emitting organic semiconductor device, a material for an organic transistor, a coating solution for a non-light-emitting organic semiconductor device, a method for manufacturing an organic transistor, a method for manufacturing an organic semiconductor film, an organic semiconductor film for a non-light-emitting organic semiconductor device, and a method for manufacturing an organic semiconductor material. (X represents an oxygen, sulfur, selenium, or tellurium atom or NR5; Y and Z each represents CR6, an oxygen, sulfur, selenium, or nitrogen atom, or NR7; a ring containing Y and Z is an aromatic heterocycle; any one of R1 and R2 and the aromatic heterocycle containing Y and Z or any one of R3 and R4 and a benzene ring may be bonded to each other through a specific divalent linking group; R1, R2, and R5 to R8 each represent a hydrogen atom, an alkyl group, an alkenyl group, an alkynyl group, an aryl group, or a heteroaryl group; R3 and R4 each represent an alkyl group, an alkenyl group, an alkynyl group, an aryl group, or heteroaryl group; and each of m and n is an integer of 0 to 2.)

  本发明提供了一种具有高载流子迁移率的有机晶体管，该晶体管的半导体有源层含有分子量等于或小于3000的下式表示的化合物、化合物、用于非发光有机半导体器件的有机半导体材料、用于有机晶体管的材料、用于非发光有机半导体器件的涂层溶液、制造有机晶体管的方法、制造有机半导体薄膜的方法、用于非发光有机半导体器件的有机半导体薄膜以及制造有机半导体材料的方法。 (X代表氧原子、硫原子、硒原子或碲原子或NR5；Y和Z各自代表CR6、氧原子、硫原子、硒原子或氮原子或NR7；含有Y和Z的环是芳香杂环；R1和R2中的任一个与含有Y和Z的芳香杂环或R3和R4中的任一个与苯环可通过特定的二价连接基团相互键合；R1、R2 和 R5 至 R8 分别代表氢原子、烷基、烯基、炔基、芳基或杂芳基；R3 和 R4 分别代表烷基、烯基、炔基、芳基或杂芳基；以及 m 和 n 分别为 0 至 2 的整数。)
• THIADIAZOLE ANALOGS AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH A DEFICIENCY OF SMN MOTOR NEURONS
  申请人：Novartis AG

  公开号：EP3736271A1

  公开（公告）日：2020-11-11

  The present invention provides a compound of Formula (X) or a pharmaceutically acceptable salt thereof; a method for manufacturing the compounds of the invention, and its therapeutic uses. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.

  本发明提供了一种式（X）化合物或其药学上可接受的盐； 一种制造本发明化合物的方法及其治疗用途。本发明进一步提供了一种药理活性剂的组合物和一种药物组合物。
• Organic transistor, compound, organic semiconductor material for non-light-emitting organic semiconductor device, material for organic transistor, coating solution for non-light-emitting organic semiconductor device, method for manufacturing organic transistor, method for manufacturing organic semiconductor film, organic semiconductor film for non-light-emitting organic semiconductor device, and method for synthesizing organic semiconductor material
  申请人：FUJIFILM Corporation

  公开号：US10270043B2

  公开（公告）日：2019-04-23

  Provided are an organic transistor with high carrier mobility having a semiconductor active layer containing a compound which is represented by the following formula and has a molecular weight of equal to or less than 3,000, a compound, an organic semiconductor material for a non-light-emitting organic semiconductor device, a material for an organic transistor, a coating solution for a non-light-emitting organic semiconductor device, a method for manufacturing an organic transistor, a method for manufacturing an organic semiconductor film, an organic semiconductor film for a non-light-emitting organic semiconductor device, and a method for manufacturing an organic semiconductor material. (X represents an oxygen, sulfur, selenium, or tellurium atom or NR5; Y and Z each represents CR6, an oxygen, sulfur, selenium, or nitrogen atom, or NR7; a ring containing Y and Z is an aromatic heterocycle; any one of R1 and R2 and the aromatic heterocycle containing Y and Z or any one of R3 and R4 and a benzene ring may be bonded to each other through a specific divalent linking group; R1, R2, and R5 to R8 each represent a hydrogen atom, an alkyl group, an alkenyl group, an alkynyl group, an aryl group, or a heteroaryl group; R3 and R4 each represent an alkyl group, an alkenyl group, an alkynyl group, an aryl group, or heteroaryl group; and each of m and n is an integer of 0 to 2).

  本发明提供了一种具有高载流子迁移率的有机晶体管，该晶体管的半导体有源层含有分子量等于或小于3000的下式表示的化合物、化合物、用于非发光有机半导体器件的有机半导体材料、用于有机晶体管的材料、用于非发光有机半导体器件的涂层溶液、制造有机晶体管的方法、制造有机半导体薄膜的方法、用于非发光有机半导体器件的有机半导体薄膜以及制造有机半导体材料的方法。 (X代表氧原子、硫原子、硒原子或碲原子或NR5；Y和Z各自代表CR6、氧原子、硫原子、硒原子或氮原子或NR7；含有Y和Z的环是芳香杂环；R1和R2中的任一个与含有Y和Z的芳香杂环或R3和R4中的任一个与苯环可通过特定的二价连接基团相互键合；R1、R2 和 R5 至 R8 分别代表氢原子、烷基、烯基、炔基、芳基或杂芳基；R3 和 R4 分别代表烷基、烯基、炔基、芳基或杂芳基；m 和 n 分别为 0 至 2 的整数。）