2,7-二甲基苯并[b]噻吩 | 16587-40-9

• 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: 2,7-二甲基苯并[b]噻吩
• 英文名称: 2,7-dimethylbenzothiophene
• 英文别名: 2,7-Dimethylbenzo[b]thiophene；2,7-dimethyl-1-benzothiophene
• CAS: 16587-40-9
• 化学式: C₁₀H₁₀S
• 分子量: 162.255
• InChiKey: DNEXCQLUONZSTB-UHFFFAOYSA-N

物化性质

• 沸点：
  74.5 °C(Press: 1 Torr)
• 密度：
  1.114±0.06 g/cm3(Predicted)
• 保留指数：
  1393

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

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  2,7-二甲基苯并[b]噻吩 在 双氧水 作用下， 以 溶剂黄146 为溶剂， 反应 0.25h， 生成 2,7-Dimethylbenzothiophene sulfone
  参考文献：
  名称：

  Transformations of six isomers of dimethylbenzothiophene by three Pseudomonas strains

  摘要：

  Dimethylbenzothiophenes are among the sulfur heterocycles in petroleum that are known to be degraded by microbial activity. Six of the 15 possible isomers of dimethylbenzothiophene were synthesized and used in biotransformation studies with three Pseudomonas isolates that oxidize a variety of condensed thiophenes including methylbenzothiophenes and methyldibenzothiophenes. The isomers of dimethylbenzothiophene were chosen to have a variety of substitution patterns: both methyl groups on the thiophene ring (the 2,3-isomer); a methyl group on each of the rings (the 2,7-, 3,5- and 3,7-isomers); and both methyl groups on the benzene ring (the 4,6- and 4,7-isomers). Each isolate was grown on l-methylnaphthalene or glucose in the presence of one of the dimethylbenzothiophenes and culture extracts were analyzed to identify nearly 30 sulfur-containing metabolites in total. Sulfoxides and sulfones were commonly found metabolites in culture extracts from the 2,3-, 2,7- and 3,7-isomers, whereas 2,3-diones, 3(2H)-ones and 2(3H)-ones were formed from the 4,6- and 4,7-isomers. High-molecular-weight products, some of which were tentatively identified as tetramethylbenzo[b]naphtho[1,2-d]thiophen were detected in the extracts of cultures incubated with 4,6- or 4,7-dimethylbenzothiophene. The methyl groups of all of the isomers, except 4,6-, were oxidized to give hydroxymethyl-methylbenzothiophenes and methylbenzothiophene-carboxylic acids, and these were the only products detected from the oxidation of 3,5-dimethylbenzothiophene.

  DOI：

  10.1007/bf00058180
• 作为产物：
  描述：

  2-巯基甲苯 在 potassium carbonate 、 N,N-二乙基苯胺 作用下， 以 丙酮 为溶剂， 反应 46.0h， 生成 2,7-二甲基苯并[b]噻吩
  参考文献：
  名称：

  [EN] BENZOFURANE AND BENZOTHIOPHENE DERIVATIVES AS PGE2 RECEPTOR MODULATORS
  [FR] DÉRIVÉS DE BENZOFURANE ET DE BENZOTHIOPHÈNE UTILISÉS EN TANT QUE MODULATEURS DU RÉCEPTEUR PGE2

  摘要：

  本发明涉及公式(I)的苯并呋喃和苯并噻吩衍生物，其中(R1)n，R2，R3，R4a，R4b，R5a，R5b和Ar1如描述中所述，并且它们在通过调节免疫应答包括在肿瘤中重新激活免疫系统的治疗中的用途。该发明还涉及公式(II)的新型苯并呋喃和苯并噻吩衍生物及其作为药物的用途，其制备，其药学上可接受的盐，以及其作为药物的用途，含有一个或多个公式(I)化合物的药物组合物，特别是它们作为前列腺素2受体EP2和/或EP4的调节剂的用途。

  公开号：

  WO2018210987A1

文献信息

• AMIDE COMPOUND
  申请人：Setoh Masaki

  公开号：US20100041891A1

  公开（公告）日：2010-02-18

  A compound having GPR52 agonist activity or a salt thereof is provided. The compound can be provided as a preventive/therapeutic agent for schizophrenia or the like. The compound is represented by the following formula: wherein A represents —CONR a — or —NR a CO—, R a represents a hydrogen atom or the like, B represents a hydrogen atom or the like, a ring Cy1 represents a six-membered aromatic ring which may have one or more substituents in addition to a group represented by -A-B, a ring Cy2 represents a six-membered ring which may be substituted with a halogen atom or the like, a ring Cy3 represents a five- or six-membered ring which may have one or more substituents; X represents C 1-2 alkylene or the like, m represents an integer of 0 to 2, and a ring Cy4 represents a six-membered aromatic ring which may have one or more substituents.

  提供具有GPR52激动剂活性或其盐的化合物。该化合物可作为预防/治疗精神分裂症等疾病的药物。该化合物由以下公式表示：其中A代表—CONRa—或—NRaCO—，Ra代表氢原子或类似物质，B代表氢原子或类似物质，环Cy1代表一个六元芳香环，除了由-A-B表示的基团外，可能有一个或多个取代基，环Cy2代表一个六元环，可能被卤素原子或类似物质取代，环Cy3代表一个有一个或多个取代基的五元或六元环；X代表C1-2烷基或类似物质，m代表0到2之间的整数，环Cy4代表一个六元芳香环，可能有一个或多个取代基。
• NOVEL (HETEROCYCLE/TETRAHYDROPYRIDINE)-(PIPERAZINYL)-1-ALCANONE AND (HETEROCYCLE/DIHYDROPYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS p75 INHIBITORS
  申请人：BARONI Marco

  公开号：US20120245150A1

  公开（公告）日：2012-09-27

  The disclosure relates to (heterocycle-tetrahydropyridine)(piperazinyl)-1-alkanone and (heterocycle-dihydropyrrolidine)(piperazinyl)-1-alkanone derivatives of formula (I): wherein A, B, m, n, W, and R2 are as defined in the disclosure; to the methods of preparing said derivatives, and to the therapeutic uses thereof.

  该披露涉及到公式（I）中的（杂环-四氢吡啶基）（哌嗪基）-1-烷酮和（杂环-二氢吡咯烷基）（哌嗪基）-1-烷酮衍生物；其中A、B、m、n、W和R2如所述定义；以及制备上述衍生物的方法和其治疗用途。
• 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。
• 3,4-Dihalogenoisothiazole Derivative, and Agricultural or Horticultural Plant Disease-Controlling Agent
  申请人：Nagata Toshihiro

  公开号：US20090240057A1

  公开（公告）日：2009-09-24

  A 3,4-dihalogenoisothiazole derivative represented by the general formula [I] (wherein R 1 is a halogen atom; A is an oxygen atom or a sulfur atom; and R is a C 1 -C 6 alkyl group, a C 2 -C 5 alkenyl group, a C 2 -C 5 alkynyl group, a C 3 -C 6 cycloalkyl group, a phenyl group or a 5- to 10-membered heterocyclic group containing at least one of oxygen atom, sulfur atom and nitrogen atom), or a salt thereof.

  一种以一般式[I]表示的3,4-二卤代异噻唑衍生物（其中R1是卤素原子; A是氧原子或硫原子; R是C1-C6烷基基团，C2-C5烯基基团，C2-C5炔基基团，C3-C6环烷基团，苯基或含有氧原子，硫原子和氮原子中至少一个的5-至10-成员杂环基团），或其盐。
• Retinoid x receptor modulators
  申请人：Gardinier M. Kevin

  公开号：US20080090860A1

  公开（公告）日：2008-04-17

  The present invention is directed to compounds represented by Structural Formula I and pharmaceutically acceptable salts, solvates and hydrates thereof: The invention is also directed to pharmaceutical compositions, methods of use and methods of making compounds represented by Structural Formula I and pharmaceutically acceptable salts, solvates and hydrates thereof.

  本发明涉及由结构式I表示的化合物及其药学上可接受的盐、溶剂合物和水合物。本发明还涉及制备由结构式I表示的化合物及其药学上可接受的盐、溶剂合物和水合物的医药组合物、使用方法和制备方法。

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