3-ethyl-2,3-dihydrobenzo[b]thiophene | 6383-23-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 3-ethyl-2,3-dihydrobenzo[b]thiophene
• 英文别名: 3-Ethyl-2,3-dihydro-1-benzothiophen；3-Ethyl-2,3-dihydrobenzothiophene；3-ethyl-2,3-dihydro-1-benzothiophene
• CAS: 6383-23-9
• 化学式: C₁₀H₁₂S
• 分子量: 164.271
• InChiKey: HZIAQBAHMBBXFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2-溴硫代苯酚 在 Ni(cyclam)⁽²⁺⁾*2BF₄^(1-) 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 3.0h， 生成 3-ethyl-2,3-dihydrobenzo[b]thiophene
  参考文献：
  名称：

  二氢苯并[b]噻吩衍生物的镍催化电化学合成

  摘要：

  摘要 邻卤芳基烯丙基硫醚的分子内电化学还原环化反应由 Ni(II) 配合物与环烷烃配体相连，得到中等至良好产率的二氢苯并 [b] 噻吩衍生物。#献给Pr。E. Dinjus 成立 60 周年。

  DOI：

  10.1081/scc-200030579

文献信息

• [EN] IMIDAZOLE DERIVATIVES AS IDO INHIBITORS<br/>[FR] DÉRIVÉS IMIDAZOLE COMME INHIBITEURS DE L'IDO
  申请人：NEWLINK GENETICS

  公开号：WO2011056652A1

  公开（公告）日：2011-05-12

  Presently provided are IDO inhibitors of general formulae (VII), (VIII) as shown below and pharmaceutical compositions thereof, useful for modulating an activity of indoleamine 2,3-dioxygenase; treating indoleamine 2,3-dioxygenase (IDO) mediated immunosuppression; treating a medical conditions that benefit from the inhibition of enzymatic activity of indoleamine-2,3-dioxygenase; enhancing the effectiveness of an anti-cancer treatment comprising administering an anti-cancer agent; treating tumor-specific immunosuppression associated with cancer; and treating immunosupression associated with an infectious disease.

  目前提供的是通用结构式（VII）、（VIII）所示的IDO抑制剂及其药物组合物，用于调节色胺酸2,3-二氧化酶的活性；治疗色胺酸2,3-二氧化酶（IDO）介导的免疫抑制；治疗受益于色胺酸-2,3-二氧化酶酶活性抑制的医疗状况；增强包括给予抗癌药物在内的抗癌治疗的有效性；治疗与癌症相关的肿瘤特异性免疫抑制；以及治疗与传染性疾病相关的免疫抑制。
• Pd-Catalyzed C-S Cyclization via C-H Functionalization Strategy: Access to Sulfur-containing Benzoheterocyclics
  作者：Shihao Chen、Ming Wang、Xuefeng Jiang

  DOI：10.1002/cjoc.201800242

  日期：2018.10

  A C—H sulfurated cyclization protocol starting from thioacetates is developed for straightforward construction of sulfur‐containing benzoheterocyclics. The diversiform functional dihydrobenzothiophenes and thiochromans were comprehensively achieved through the Pd‐catalyzed carbon‐ sulfur cyclization. Mechanistic studies indicated that C—H bond cleavage was involved in the rate‐determining step. [1]Benzothieno‐[3

  从硫代乙酸盐开始的AC-H硫化环化方案是为直接构建含硫的苯并杂环化合物而开发的。通过Pd催化的碳硫环化，可以全面实现多种形式的二氢苯并噻吩和噻喃类化合物。机理研究表明，CH键断裂参与了速率确定步骤。[1]苯并噻吩并[3,2-b]-[1]苯并噻吩（BTBT）和苯并[b]噻吩并[2,3-d]噻吩（BTT）被有效地建立为著名的有机场效应晶体管（OFET）材料分子通过这种方法。
• HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY
  申请人：Davidson Alan Hornsby

  公开号：US20090298924A1

  公开（公告）日：2009-12-03

  Compounds of formula (I) are inhibitors of histone deacetylase activity, and are useful in the treatment of, for example, cancers: wherein Y 1 is a bond, —(C═O)—, —S(O 2 )—, —C(═O)O—, —OC(═O)—, —(C═O)NR 3 —, —NR 3 (C═O)—, —S(O 2 )NR 3 —, —NR 3 S(O 2 )—, or —NR 3 (C═O)NR 5 —, wherein R 3 and R 5 are independently hydrogen or optionally substituted (C 1 -C 6 )alkyl, L 1 is a divalent radical of formula -(Alk 1 ) m (O) n (Alk 2 ) p — wherein m, n, p, Alk 1 , Alk 2 and Q are as defined in the claims; z is 0 or 1; A represents an optionally substituted mono-, bi- or tri-cyclic carbocyclic or heterocyclic ring system; -[Linker]- represents a divalent linker radical; R is a radical of formula (X) or (Y): wherein R 1 is a carboxylic acid group (—COOH), or an ester group which is hydrolysable by one or more intracellular carboxylesterase enzymes to a carboxylic acid group; R 4 is hydrogen; or optionally substituted C 1 -C 6 alkyl, C 3 -C 7 cycloalkyl, aryl, aryl(C 1 -C 6 alkyl)-, heteroaryl, heteroaryl(C 1 -C 6 alkyl)-, —(C═O)R 3 , —(C═O)OR 3 , or —(C═O)NR 3 wherein R 3 is hydrogen or optionally substituted (C 1 -C 6 )alkyl, C 3 -C 7 cycloalkyl, aryl, aryl(C 1 -C 6 alkyl)-, heteroaryl, or heteroaryl(C 1 -C 6 alkyl)-; R 4 1 is hydrogen or optionally substituted C 1 -C 6 alkyl; and B is a monocyclic heterocyclic ring of 5 or 6 ring atoms wherein R 1 is linked to a ring carbon adjacent the ring nitrogen shown, and ring B is optionally fused to a second carbocyclic or heterocyclic ring of 5 or 6 ring atoms in which case the bond shown intersected by a wavy line may be from a ring atom in said second ring;

  式(I)的化合物是组蛋白去乙酰化酶活性的抑制剂，可用于治疗癌症等疾病：其中Y1是键，—(C═O)—、—S(O2)—、—C(═O)O—、—OC(═O)—、—(C═O)NR3—、—NR3(C═O)—、—S(O2)NR3—、—NR3S(O2)—或—NR3(C═O)NR5—，其中R3和R5分别是氢或可选取代的（C1-C6）烷基，L1是式-(Alk1)m(O)n(Alk2)p-的二价基团，其中m、n、p、Alk1、Alk2和Q如权利要求所定义；z为0或1；A代表可选取代的单环、双环或三环碳环或杂环系统；-[链接体]-代表二价的连接基团；R是式(X)或(Y)的基团：其中R1是羧酸基（—COOH），或可由一个或多个细胞内羧酸酯酶酶解为羧酸基的酯基；R4是氢；或可选取代的C1-C6烷基、C3-C7环烷基、芳基、芳基(C1-C6烷基)-、杂环芳基、杂环芳基(C1-C6烷基)-、—(C═O)R3、—(C═O)OR3或—(C═O)NR3，其中R3是氢或可选取代的（C1-C6）烷基、C3-C7环烷基、芳基、芳基(C1-C6烷基)-、杂环芳基或杂环芳基(C1-C6烷基)-；R41是氢或可选取代的C1-C6烷基；B是由5个或6个环原子组成的单环杂环，其中R1与所示的环氮相邻的环碳相连，并且环B可选择与第二个由5个或6个环原子组成的碳环或杂环融合，此时由波浪线相交的键可能来自于所述第二个环中的一个环原子。
• HETEROCYCLIC CETP INHIBITORS
  申请人：Salvati Mark E.

  公开号：US20100267669A1

  公开（公告）日：2010-10-21

  Compounds of formula Ia and Ib wherein A, B, C and R 1 are described herein.

  本文描述了化学式Ia和Ib的化合物，其中A、B、C和R1被定义。
• TRANYLCYPROMINE DERIVATIVES AS INHIBITORS OF HISTONE DEMETHYLASE LSD1 AND/OR LSD2
  申请人：Università degli Studi di Roma "La Sapienza"

  公开号：EP2560949B1

  公开（公告）日：2015-12-02