3-tert-butyl-2-methylbenzo[b]thiophene | 1276032-29-1

• 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-tert-butyl-2-methylbenzo[b]thiophene
• 英文别名: 3-Tert-butyl-2-methyl-1-benzothiophene
• CAS: 1276032-29-1
• 化学式: C₁₃H₁₆S
• 分子量: 204.336
• InChiKey: XAIINSJKMHFKLC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  28.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1,3-二氢-2-苯并噻吩-1,3-二酮 、 4,4-二甲基-2-戊炔 在 bis(1,5-cyclooctadiene)nickel (0) 、 三环己基膦 作用下， 以 甲苯 为溶剂， 反应 5.0h， 以89%的产率得到3-tert-butyl-2-methylbenzo[b]thiophene
  参考文献：
  名称：

  镍催化的硫代邻苯二甲酸酐与炔烃的环加成反应

  摘要：

  已经开发了镍催化的环加成，其中硫代邻苯二甲酸酐与炔烃反应以提供取代的含硫杂环化合物。硫异香豆素，苯并噻吩和噻吩色酮的选择性形成是通过三种不同的反应条件完成的。

  DOI：

  10.1021/ol200336c

文献信息

• INHIBITORS OF HISTONE DEACETYLASE
  申请人：METHYLGENE INC.

  公开号：US20140045850A1

  公开（公告）日：2014-02-13

  This invention relates to compounds and methods for the inhibition of HDAC enzymatic activity. More particularly, the invention provides for compounds of formula (I), (I) and N-oxides, hydrates, solvates, pharmaceutically acceptable salts, prodrugs and complexes thereof, and racemic and scalemic mixtures, diastereomers and enantiomers thereof, wherein L, M, n, R, W, X and Y are as defined in the specification.

  本发明涉及化合物和方法，用于抑制HDAC酶活性。更具体地，本发明提供了公式（I），（I）和N-氧化物，水合物，溶剂化物，药学上可接受的盐，前药和其复合物，以及其外消旋和对映混合物，对映体和对映异构体的化合物，其中L，M，n，R，W，X和Y如规范中所定义。
• Heterocyclic compounds and uses thereof
  申请人：Infinity Pharmaceuticals, Inc.

  公开号：US10919914B2

  公开（公告）日：2021-02-16

  Compounds and pharmaceutical compositions that modulate kinase activity, including PI3 kinase activity, and compounds, pharmaceutical compositions, and methods of treatment of diseases and conditions associated with kinase activity, including PI3 kinase activity, are described herein.

  本文描述了调节激酶活性（包括 PI3 激酶活性）的化合物和药物组合物，以及治疗与激酶活性（包括 PI3 激酶活性）相关的疾病和病症的化合物、药物组合物和方法。
• ROBUST PHOTOCHROMIC COMPOUNDS WITH SILICON- OR PHOSPHORUS-CONTAINING HETEROCYCLIC RING AND THE PRODUCTION THEREOF
  申请人：THE UNIVERSITY OF HONG KONG

  公开号：US20150361332A1

  公开（公告）日：2015-12-17

  In one embodiment, provided are a new class of diarylethene-containing photochromic compounds with the incorporation of silicon- or phosphorus-containing heterocycles into the “ethene” part of the diarylethene backbone that has been shown to be capable of displaying tunable, robust and thermally stable photochromic properties. Also provided are methods for synthesizing these compounds, as well as uses of these compounds as these compounds may be used as the photochromic layer in an optical recording material and other optical functioning devices.
• HETEROCYCLIC COMPOUNDS AND USES THEREOF
  申请人：Infinity Pharmaceuticals, Inc.

  公开号：US20190135833A1

  公开（公告）日：2019-05-09

  Compounds and pharmaceutical compositions that modulate kinase activity, including PI3 kinase activity, and compounds, pharmaceutical compositions, and methods of treatment of diseases and conditions associated with kinase activity, including PI3 kinase activity, are described herein.
• ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES
  申请人：UNIVERSAL DISPLAY CORPORATION

  公开号：US20220213131A1

  公开（公告）日：2022-07-07

  Provided are compounds having a ligand L A of Formula I, Also provided are formulations comprising these compounds. Further provided are OLEDs and related consumer products that utilize these compounds.