5-bromo-3-phenyl-1H-indene | 1224455-31-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 英文名称: 5-bromo-3-phenyl-1H-indene
• CAS: 1224455-31-5
• 化学式: C₁₅H₁₁Br
• 分子量: 271.156
• InChiKey: ZSGHFBGKYGKOAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  5-bromo-3-phenyl-1H-indene 在 盐酸 、 三乙基硅烷 、 四(三苯基膦)钯 、 sodium hydride 、 potassium carbonate 、 二甲基亚砜 、 三氟乙酸 、 potassium hydroxide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 二氯甲烷 、 水 、 mineral oil 为溶剂， 反应 8.5h， 生成 4-(3-(2-hydroxyethyl)-3-phenyl-2,3-dihydro-1H-inden-5-yl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7(6H)-one
  参考文献：
  名称：

  [EN] SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF BROMODOMAIN
  [FR] PYRROLOPYRIDINES SUBSTITUÉES UTILISÉES EN TANT QU'INHIBITEURS DE BROMODOMAINES

  摘要：

  本发明涉及公式(I)的化合物及其盐，其中R1、R2和Q具有规范中定义的任何值，以及其组合物和用途。这些化合物可用作溴结域的抑制剂。还包括包含公式(I)的化合物或其药学上可接受的盐的药物组合物，以及在治疗各种溴结域介导的疾病中使用这些化合物和盐的方法。

  公开号：

  WO2016077380A1
• 作为产物：
  描述：

  1-(4-bromo-phenyl)-3-phenyl-prop-2-yn-1-ol 在 三乙基硅烷 、 碘 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 1.5h， 以82%的产率得到5-bromo-3-phenyl-1H-indene
  参考文献：
  名称：

  Iodine/Et3SiH: a novel reagent system for the synthesis of 3-aryl-1H-indenes from 1,3-diaryl propargyl alcohols

  摘要：

  1,3-Diaryl propargyl alcohols undergo smooth intramolecular Friedel-Crafts cyclization with triethylsilane in the presence of 10 mol % iodine 3-aryl-1H-indene derivatives in good yields in short reaction times. This is the first example on the synthesis of substituted indenes from 1,3-diaryl propargyl alcohols. The use of inexpensive and readily available molecular iodine makes this method quite simple, more convenient, and practical. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.08.061

文献信息

• Heteroatom bridged metallocene compounds for olefin polymerization
  申请人：Voskoboynikov Z. Alexander

  公开号：US20070135597A1

  公开（公告）日：2007-06-14

  This invention relates to a transition metal compound represented by the formula: wherein M is a group 3, 4, 5 or 6 transition metal atom, or a lanthanide metal atom, or actinide metal atom; E is: 1) a substituted or unsubstituted indenyl ligand that is bonded to Y through the four, five, six or seven position of the indenyl ring, or 2) a substituted or unsubstituted heteroindenyl ligand that is bonded to Y through the four, five or six position of the heteroindenyl ring, provided that the bonding position is not the same as the position of the ring heteroatom, or 3) a substituted or unsubstituted fluorenyl ligand that is bonded to Y through the one, two, three, four, five, six, seven or eight position of the fluorenyl ring, or 4) a substituted or unsubstituted heterofluorenyl ligand that is bonded to Y through the one, two, three, four, five or six position of the heteroindenyl ring, provided that the bonding position is not the same as the position of the ring heteroatom; A is a substituted or unsubstituted cyclopentadienyl ligand, a substituted or unsubstituted heterocyclopentadienyl ligand, a substituted or unsubstituted indenyl ligand, a substituted or unsubstituted heteroindenyl ligand, a substituted or unsubstituted fluorenyl ligand, a substituted or unsubstituted heterofluorenyl ligand, or other mono-anionic ligand; Y is a Group 15 or 16 bridging heteroatom substituent that is bonded via the heteroatom to E and A; and X are, independently, univalent anionic ligands, or both X are joined and bound to the metal atom to form a metallocycle ring, or both X join to form a chelating ligand, a diene ligand, or an alkylidene ligand. This invention further relates to catalyst systems comprising the above transiotioon metal compounds, activators and optional supports and their use to polymerize or oligomerize olefins.

  本发明涉及一种过渡金属化合物，其表示为以下公式：其中M是3、4、5或6族过渡金属原子，或镧系金属原子，或锕系金属原子；E是：1）与Y通过茚环的四、五、六或七位置结合的取代或未取代的茚基配体，或2）与Y通过杂环茚环的四、五或六位置结合的取代或未取代的杂环茚基配体，前提是结合位置与环杂原子的位置不同，或3）与Y通过芴环的一、二、三、四、五、六、七或八位置结合的取代或未取代的芴基配体，或4）与Y通过杂芴环的一、二、三、四、五或六位置结合的取代或未取代的杂芴基配体，前提是结合位置与环杂原子的位置不同；A是取代或未取代的环戊二烯基配体，取代或未取代的杂环戊二烯基配体，取代或未取代的茚基配体，取代或未取代的杂环茚基配体，取代或未取代的芴基配体，取代或未取代的杂芴基配体，或其他单阴离子配体；Y是通过杂原子与E和A结合的15族或16族桥接杂原子取代基；X是独立的一价阴离子配体，或两个X结合并与金属原子结合形成金属环，或两个X结合形成螯合配体、二烯基配体或烷基亚基配体。本发明还涉及包含上述过渡金属化合物、活化剂和可选支撑物的催化剂系统及其用于聚合或寡聚烯烃的用途。
• Structure-reactivity relationships in (2-hydroxyethyl)benzophenone photoremovable protecting Groups
  作者：Michael C. Pirrung、Biswajit Gopal Roy、Surendra Gadamsetty

  DOI：10.1016/j.tet.2010.02.087

  日期：2010.4

  A detailed study of substituent effects on the photochemical conversion of esters of (2-hydroxyethyl)benzophenone to the carboxylic acid was performed with the aim of improving on the reactivity of the parent, which was first reported decades ago. Over 20 derivatives were prepared, 10 of which exhibit some level of photochemical reactivity, but none of them is appreciably better than the original.

  为了改善母体的反应性，进行了取代基对（2-羟乙基）二苯甲酮的酯光化学转化为羧酸的影响的详细研究，这是几十年前首次报道的。制备了20多种衍生物，其中10种表现出一定程度的光化学反应性，但没有一个比原始的有明显的改善。该反应对作为致敏剂的噻吨酮或包含碱以促进消除反应均无反应。除全氟苯基类似物外，该溶剂对反应的影响似乎很小，该全氟苯基类似物在己烷中完全不反应，但在甲醇或乙腈中则表现正常。这些被忽略的保护基即使在长波长照射下也可以相当快速地脱保护，仍然可以用于有机合成中。
• Therapeutic compounds and uses thereof
  申请人：GENENTECH, INC.

  公开号：US10150767B2

  公开（公告）日：2018-12-11

  The present invention relates to compounds of formula (I): and to salts thereof, wherein R1, R2, and Q have any of the values defined in the specification, and compositions and uses thereof. The compounds are useful as inhibitors of bromodomains. Also included are pharmaceutical compositions comprising a compound of formula (I) or a pharmaceutically acceptable salt thereof, and methods of using such compounds and salts in the treatment of various bromodomain-mediated disorders.

  本发明涉及式（I）化合物： 及其盐，其中 R1、R2 和 Q 具有说明书中定义的任一值，以及其组合物和用途。这些化合物可用作溴链的抑制剂。还包括包含式（I）化合物或其药学上可接受的盐的药物组合物，以及使用这种化合物和盐治疗各种溴化多聚酶介导的疾病的方法。
• Synthesis of indenes via aluminum chloride-promoted tandem Friedel–Crafts alkylation of arenes and cinnamaldehydes
  作者：Haiouani Kheira、Pingfan Li、Jiaxi Xu

  DOI：10.1016/j.molcata.2014.04.027

  日期：2014.9

  A series of substituted indenes were synthesized from arenes and cinnamaldehydes via aluminum chloride-promoted tandem Friedel-Crafts alkylation. The scope and limitation of the tandem reaction were explored. A plausible reaction mechanism is also discussed. This approach provides a convenient method for the synthesis of indene derivatives using a readily available and low cost Lewis acid and starting materials. (C) 2014 Elsevier B.V. All rights reserved.
• SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF BROMODOMAIN
  申请人：Genentech, Inc.

  公开号：EP3218374A1

  公开（公告）日：2017-09-20