3-benzothienylacetone | 1131-08-4

• 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-benzothienylacetone
• 英文别名: 1-(benzo[b]thiophen-3-yl)propan-2-one；benzo[b]thiophen-3-yl-propan-2-one；1-(1-benzothiophen-3-yl)propan-2-one
• CAS: 1131-08-4
• 化学式: C₁₁H₁₀OS
• 分子量: 190.266
• InChiKey: JITNUEBWHPLVPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  45.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-benzothienylacetone 在 双三氟甲烷磺酰亚胺 作用下， 以 甲苯 为溶剂， 反应 48.0h， 以61%的产率得到
  参考文献：
  名称：

  布朗斯台德酸促进吲哚基酮的环二聚反应：吲哚稠合的氧杂双环[3.3.1]壬烷和-环辛酸酯环体系的构建

  摘要：

  描述了布朗斯台德酸促进的C（3）-，C（2）-或N（1）-取代的吲哚酮衍生物的环二聚。可以高效率高效地制备各种结构多样的双吲哚稠合9-氧杂双环[3.3.1]壬烷和双吲哚稠合环辛酸酯（COT）衍生物。

  DOI：

  10.1021/acs.orglett.0c03895
• 作为产物：
  描述：

  3-碘苯并[b]噻吩 、 potassium acetone enolate 在 potassium tert-butylate 作用下， 以 二甲基亚砜 为溶剂， 反应 1.0h， 以12%的产率得到3-benzothienylacetone
  参考文献：
  名称：

  Study of the Reaction of Several Ketone Enolates with 3-Iodobenzo[b]thiophene under Thermally Initiated SRN1 Reaction Conditions

  摘要：

  The reaction of 3-iodobenzo[b]thiophene (1) with the potassium enolates of cyclohexanone (2a), acetone (2b), and acetophenone (2c) in DMSO for 1 h at room temperature in the dark, gave the desired alpha-hetaryl ketones (3a-c) in low yield. The thermally activated S(RN)1 reaction with the ion enolate (2a) was studied in mere detail and it was found that the radical chain S(RN)1 mechanism could compete with one of ionic character.

  DOI：

  10.3987/com-92-5994

文献信息

• Methods and Compositions for Treatment of Scleritis and Related Disorders
  申请人：Bedard Patricia W.

  公开号：US20080125454A1

  公开（公告）日：2008-05-29

  The present teachings relate to the field of anti-inflammatory substances and more particularly to compounds that are useful for the treatment of scleritis, a scleritis symptom, or a scleritis-related disorder. In one aspect, methods of treating scleritis, a scleritis symptom, or a scleritis-related disorder generally include administering to a subject a compound of Formula I: or a pharmaceutically acceptable salt, hydrate or ester thereof, wherein W 1 , W 2 , R 1 , L, X, Y, Z, and n 1 are defined as described herein.

  目前的教导涉及抗炎物质领域，更具体地涉及对用于治疗巩膜炎、巩膜炎症状或与巩膜炎相关疾病有用的化合物。在一个方面，治疗巩膜炎、巩膜炎症状或巩膜炎相关疾病的方法通常包括向受试者施用公式I的化合物： 或其药用可接受的盐、水合物或酯，其中W 1 ，W 2 ，R 1 ，L，X，Y，Z和n 1 的定义如本文所述。
• Pharmacologically active benzo[b]thiophen derivatives. Part VIII. Benzo[b]thiophen analogues of tryptophan and α-methyltryptophan, and some of their 5-substituted derivatives
  作者：N. B. Chapman、R. M. Scrowston、R. Westwood

  DOI：10.1039/j39690001855

  日期：——

  α-Amino-β-(3-benzo[b]thienyl) propionic acid, the benzo[b]thiophen analogue of tryptophan, has been prepared by reaction of 3-chloromethylbenzo[b]thiophen with diethyl acetamidomalonate or diethyl formamidoalonate, and acidic or alkaline hydrolysis of the product. Its 5-bromo-, 5-chloro-, 5-methyl-, and 5-nitro-derivatives were similarly preprared for pharmacologicl evaluation. (3-Benzo[b]thienyl)acetone

  色氨酸的苯并[ b ]噻吩类似物α-氨基-β-（3-苯并[ b ]噻吩基）丙酸是通过使3-氯甲基苯并[ b ]噻吩与乙酰氨基丙二酸二乙酯或甲酰胺基丙二酸二乙酯反应制备的。或产品的碱水解。类似地，将其5-溴-，5-氯-，5-甲基-和5-硝基衍生物用于药理学评价。（3-苯并[ b ]噻吩基）丙酮，用3-苯并[反应制备b ] thienylacetyl酰氯与该产品的二ethozxymagnesium -丙二酸酯和酸性水解，与氰化钾，氯化铵，和碳酸铵的混合物反应在乙醇水溶液中得到5-（3-苯并[ b的]噻吩基）-5-甲基氢化反应进行碱性水解，得到α-甲基色氨酸的苯并[ b ]噻吩类似物。类似地制备了其5-溴-，5-氯-，5-甲基和5-硝基衍生物。
• Hepatitis C Virus Inhibitors
  申请人：Bachand Carol

  公开号：US20080050336A1

  公开（公告）日：2008-02-28

  The present disclosure relates to compounds, compositions and methods for the treatment of hepatitis C virus (HCV) infection. Also disclosed are pharmaceutical compositions containing such compounds and methods for using these compounds in the treatment of HCV infection.

  本公开涉及化合物、组合物和治疗丙型肝炎病毒（HCV）感染的方法。还公开了含有这些化合物的药物组合物以及使用这些化合物治疗HCV感染的方法。
• HEPATITIS C VIRUS INHIBITORS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20170320833A1

  公开（公告）日：2017-11-09

  The present disclosure relates to compounds, compositions and methods for the treatment of hepatitis C virus (HCV) infection. Also disclosed are pharmaceutical compositions containing such compounds and methods for using these compounds in the treatment of HCV infection.

  本公开涉及化合物、组合物和方法，用于治疗丙型肝炎病毒（HCV）感染。还公开了含有这些化合物的制药组合物和使用这些化合物治疗HCV感染的方法。
• Arylalkylamine Compound and Process for Preparing the Same
  申请人：Miyazaki Hiroshi

  公开号：US20070225296A1

  公开（公告）日：2007-09-27

  The present invention relates to an arylalkylamine compound represented by the following formula [I] or a pharmaceutically acceptable salt thereof, a process for preparing the same, and use of the above-mentioned compound as an activating compound (CaSR agonist) of a Ca sensing receptor, a pharmaceutical composition containing the above-mentioned compound as an effective ingredient, etc. The symbols in the formula represent the following meanings: Ar: optionally substituted aryl or optionally substituted heteroaryl here, the cyclic portion of the heteroaryl is bicyclic heterocyclic ring in which 5- to 6-membered monocyclic heterocyclic ring containing 1 or 2 hetero atom(s) and benzene ring are fused; R 1 : a group selected from the group consisting of optionally substituted cyclic hydrocarbon group, and optionally substituted heterocyclic group; n: an integer of 1 to 3; X: single bonding arm, —CH 2 —, —CO—, —(CH 2 ) m —CO—, —CH(R 2 )—CO—, —(CH 2 ) p —Y—(C(R 3 )(R 4 )) q —CO—, —NH—CO— or —N(R 5 )—CO—; in the above-mentioned respective definitions of the X, the bonding arm described at the left end represents a bond with R 1 ; m is an integer of 1 to 3; p is an integer of 0 to 2; q is an integer of 0 to 2; Y: —O— or —SO 2 —; R 2 : phenyl or lower alkyl; R 3 , R 4 : each independently represents hydrogen atom or lower alkyl; R 5 : lower alkyl; provided that the ring portion of the group represented by R 1 is neither naphthylidine nor partially saturated group thereof, and, when X is —CH 2 — or —CO—, R 1 is not naphthyl.

  本发明涉及一种由以下公式[I]表示的芳基烷基胺化合物或其药学上可接受的盐，其制备方法，以及上述化合物作为钙感受受体的激活化合物（CaSR激动剂），以及含有上述化合物作为有效成分的制药组合物等的用途。公式中的符号表示以下含义：Ar：此处为可选取代的芳基或可选取代的杂环芳基，其中杂环的环部分是一个含有1或2个杂原子的5-至6元单环杂环，与苯环融合；R1：选自可选取代的环烃基团和可选取代的杂环基团的群；n：1至3的整数；X：单键臂、—CH2—、—CO—、—（CH2）m—CO—、—CH（R2）—CO—、—（CH2）p—Y—（C（R3）（R4））q—CO—、—NH—CO—或—N（R5）—CO—；在上述各定义的X中，左端所描述的键臂表示与R1的键；m为1至3的整数；p为0至2的整数；q为0至2的整数；Y：—O—或—SO2—；R2：苯基或低碳烷基；R3、R4：各自独立地表示氢原子或低碳烷基；R5：低碳烷基；前提是由R1表示的基团的环部分既不是萘亚甲基也不是其部分饱和基团，且当X为—CH2—或—CO—时，R1不是萘基。