3-ethylbenzo[b]thiophene | 31283-14-4

• 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: 3-ethylbenzo[b]thiophene
• 英文别名: 3-Aethyl-thionaphthen；3-Ethylbenzothiophene；3-ethyl-1-benzothiophene
• CAS: 31283-14-4
• 化学式: C₁₀H₁₀S
• 分子量: 162.255
• InChiKey: HLUNIRWBGNBJOO-UHFFFAOYSA-N

物化性质

• 保留指数：
  1422.5

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  11
• 可旋转键数：
  1
• 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：

  3-ethylbenzo[b]thiophene 在 双氧水 、 溶剂黄146 作用下， 以 水 为溶剂， 以70%的产率得到3-乙基-1-苯并噻吩1,1-二氧化物
  参考文献：
  名称：

  镍催化的环烯基砜苯并[ b ]噻吩1，1-二氧化物的不对称加氢机理研究

  摘要：

  首次成功开发了一种基于廉价过渡金属镍的高效催化体系，用于挑战性环状烯基砜，3-取代的苯并[ b ]噻吩1,1-二氧化物的不对称加氢。以高收率（95-99％）和优异的对映选择性（90-99％ee）获得了一系列氢化产物，手性2,3-二氢苯并[ b ]噻吩1,1-二氧化物。根据非线性效应研究，氘标记实验和DFT计算研究的结果，为这种镍催化的不对称氢化提供了合理的催化机理，表明该氢化产物中两个加成的氢原子可能来自H 2。 通过插入Ni–H和随后的氢解反应。

  DOI：

  10.1021/acs.orglett.0c03723
• 作为产物：
  描述：

  3-乙酰硫茚 在 sodium hypophosphite monohydrate 、 5%-palladium/activated carbon 、 次磷酸 作用下， 以 水 为溶剂， 以41%的产率得到3-ethylbenzo[b]thiophene
  参考文献：
  名称：

  Commutative reduction of aromatic ketones to arylmethylenes/alcohols by hypophosphites catalyzed by Pd/C under biphasic conditions

  摘要：

  An efficient method is reported to reduce aromatic ketones selectively into arylmethylenes or alcohols with hypophosphites and Pd/C, depending on the selected conditions. This study could represent a promising alternative to the classical uses of standard hydrides or molecular hydrogen involved in reduction and deoxygenation procedures. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.02.014

文献信息

• Piperazine-piperidine antagonists and agonists of the 5-HT1A receptor
  申请人：Asselin Magda

  公开号：US20070027160A1

  公开（公告）日：2007-02-01

  The present invention relates to novel piperazine-piperidine compounds. The compounds are useful as 5-HT 1A binding agents, particularly as 5-HT 1A receptor antagonists and agonists. These compounds are useful in treating central nervous system disorders, such as cognition disorders, anxiety disorders, depression and sexual dysfunction.

  本发明涉及新型哌嗪-哌啶化合物。这些化合物可用作5-HT1A结合剂，特别是作为5-HT1A受体拮抗剂和激动剂。这些化合物在治疗中枢神经系统疾病方面很有用，如认知障碍、焦虑症、抑郁症和性功能障碍。
• 6-Membered heterocyclic compound and use thereof
  申请人：Shoda Motoshi

  公开号：US20070060590A1

  公开（公告）日：2007-03-15

  A compound represented by the general formula (I) or a salt thereof: [T represents oxygen atom and the like; V represents CH 2 and the like; R O1 to R O4 represent hydrogen atom and the like; A represents a linear alkylene group or linear alkenylene group having 2 to 8 carbon atoms and the like; D represents carboxyl group and the like; X represents ethylene group, trimethylene group and the like; E represents —CH(OH)— group and the like; and W represent —U 1 —(R W1 )(R W2 )—U 2 —U 3 group (U 1 represents a single bond, an alkylene group having 1 to 4 carbon atoms and the like; R W1 and R W2 represent hydrogen atom and the like; U 2 represents a single bond, an alkylene group having 1 to 4 carbon atoms and the like; and U 3 represent an alkyl group having 1 to 8 carbon atoms and the like), or a residue of a carbon ring or heterocyclic compound], which can be utilized as an active ingredient of medicaments effective for prophylactic and/or therapeutic treatment of skeletal diseases such as osteoporosis and fracture, glaucoma, ulcerative colitis and the like.

  由通用公式(I)表示的化合物或其盐： [T代表氧原子等；V代表CH2等；RO1至RO4代表氢原子等；A代表具有2至8个碳原子的线型亚烷基或线型亚烯基等；D代表羧基等；X代表亚乙基、亚丙基等；E代表—CH(OH)—基团等；W代表—U1—(RW1)(RW2)—U2—U3基团（U1代表单键、具有1至4个碳原子的亚烷基等；RW1和RW2代表氢原子等；U2代表单键、具有1至4个碳原子的亚烷基等；U3代表具有1至8个碳原子的烷基等），或碳环或杂环化合物的残基]，其可作为预防性和/或治疗性药物的有效成分，用于治疗骨骼疾病如骨质疏松症和骨折、青光眼、溃疡性结肠炎等。
• [EN] MALONAMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS<br/>[FR] DERIVES DE MALONAMIDE UTILISES COMME INHIBITEURS DE LA GAMMA-SECRETASE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2004069826A1

  公开（公告）日：2004-08-19

  The invention relates to malonamide derivatives of formula (IA) or (IB) and to pharmaceutically suitable acid addition salts thereof. The compounds are Ϝ-secretase inhibitors and the related compounds may be useful in the treatment of Alzheimer's disease.

  这项发明涉及公式（IA）或（IB）的马隆酰胺衍生物及其药用适宜的酸盐。这些化合物是Ϝ-分泌酶抑制剂，相关化合物可能在治疗阿尔茨海默病方面有用。
• ALLOSTERIC BINDING COMPOUNDS
  申请人：Neubauer Henrik Amtoft

  公开号：US20120095048A1

  公开（公告）日：2012-04-19

  The present invention relates to allosteric binding compounds of formula (I), especially for the treatment of CNS disorders, together with pharmaceutical compositions and methods of treatment including these compounds.

  本发明涉及具有公式(I)的变构结合化合物，尤其用于治疗中枢神经系统疾病，以及包含这些化合物的药物组合物和治疗方法。
• PLASMA KALLIKREIN INHIBITORS AND USES THEREOF
  申请人：Shire Human Genetic Therapies, Inc.

  公开号：US20210078999A1

  公开（公告）日：2021-03-18

  The present invention provides compounds and compositions thereof which are useful as inhibitors of plasma kallikrein and which exhibit desirable characteristics for the same.

  本发明提供了作为血浆激肽酶抑制剂并具有相同理想特性的化合物及其组合物。