8-bromo-6,7-dihydro-5H-benzo[7]annulene | 135615-94-0

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 8-bromo-6,7-dihydro-5H-benzo[7]annulene
• 英文别名: 6-bromo-8,9-dihydro-7H-benzo[7]annulene
• CAS: 135615-94-0
• 化学式: C₁₁H₁₁Br
• 分子量: 223.112
• InChiKey: BUOVMLZAIRZQJR-UHFFFAOYSA-N

物化性质

• 沸点：
  299.0±9.0 °C(Predicted)
• 密度：
  1.397±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 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：

  8-bromo-6,7-dihydro-5H-benzo[7]annulene 在 N-溴代丁二酰亚胺(NBS) 、 copper(l) iodide 、 二(氰基苯)二氯化钯 、 1,10-菲罗啉 、 copper(ll) sulfate pentahydrate 、 三叔丁基膦 、 potassium carbonate 、 silver nitrate 、 N,N-二异丙基乙胺 作用下， 以 甲醇 、 二氯甲烷 、 丙酮 、 甲苯 为溶剂， 反应 20.0h， 生成 N-((6,7-dihydro-5H-benzo[7]annulen-8-yl)ethynyl)-N-methylmethanesulfonamide
  参考文献：
  名称：

  Zn(II)- or Ag(I)-Catalyzed 1,4-Metathesis Reactions between 3-En-1-ynamides and Nitrosoarenes

  摘要：

  Catalyst-dependent metathesis reactions between 3-en-1-ynamides and nitrosoarenes are described. Particularly notable are the unprecedented 1,4-metathesis reactions catalyzed by Ag(I) or Zn(II) to give 2-propynimidamides and benzaldehyde derivatives. With 3-en-1-ynamides bearing a cycloalkenyl group, 1,4-oxoimination products were produced efficiently. We have developed metathesis/alkynation cascades for unsubstituted 2-propynimidamides and benzaldehyde species generated in situ, to manifest 1,4-hydroxyimination reactions of 3-en-1-ynes. Both 1,4-oxoiminations and 1,4-hydroxyiminations increase the molecular complexity of products.

  DOI：

  10.1021/ja412634w
• 作为产物：
  描述：

  6,7,8,9-四氢-5H-苯并环庚烯-5-醇 在 吡啶 、 溴 、 三溴化磷 作用下， 以 四氯化碳 、 苯 为溶剂， 反应 18.0h， 生成 8-bromo-6,7-dihydro-5H-benzo[7]annulene
  参考文献：
  名称：

  捕集1,2-苯并-1,3,4-环庚三烯作为环状环烯结构应变的证据

  摘要：

  通过一种新的简单方法合成了8-溴-6,7-二氢苯并环庚二烯16和9-溴-6,7-苯并环庚二烯17，并研究了它们的烯丙基反应。在DPIBF（二苯基异苯并呋喃）的存在下用碱处理16，得到的应变双环烯键9经历环加成反应，得到25和26。另一方面，在存在或不存在DPIBF的情况下，乙烯基溴化物17与碱的反应导致形成7 H-苯并环庚二烯21，而不是炔22。

  DOI：

  10.1016/s0040-4020(99)00493-7

文献信息

• Aryl- and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin
  申请人：Molino F. Bruce

  公开号：US20060052378A1

  公开（公告）日：2006-03-09

  The compounds of the present invention are represented by the chemical structure found in Formula (I): wherein: the carbon atom designated * is in the R or S configuration; and X is a fused bicyclic carbocycle or heterocycle selected from the group consisting of benzofuranyl, benzo[b]thiophenyl, benzoisothiazolyl, benzoisoxazolyl, indazolyl, indolyl, isoindolyl, indolizinyl, benzoimidazolyl, benzooxazolyl, benzothiazolyl, benzotriazolyl, imidazo[1,2-a]pyridinyl, pyrazolo[1,5-a]pyridinyl, [1,2,4]triazolo[4,3-a]pyridinyl, thieno[2,3-b]pyridinyl, thieno[3,2-b]pyridinyl, 1H-pyrrolo[2,3-b]pyridinyl, indenyl, indanyl, dihydrobenzocycloheptenyl, tetrahydrobenzocycloheptenyl, dihydrobenzothiophenyl, dihydrobenzofuranyl, indolinyl, naphthyl, tetrahydronaphthyl, quinolinyl, isoquinolinyl, 4H-quinolizinyl, 9aH-quinolizinyl, quinazolinyl, cinnolinyl, phthalazinyl, quinoxalinyl, benzo[1,2,3]triazinyl, benzo[1,2,4]triazinyl, 2H-chromenyl, 4H-chromenyl, and a fused bicyclic carbocycle or fused bicyclic heterocycle optionally substituted with substituents (1 to 4 in number) as defined in R 14 ; with R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , and R 14 defined herein.

  本发明的化合物由以下式中的化学结构表示（I）： 其中： 指定为*的碳原子处于R或S构型；X是从苯并呋喃基、苯并噻吩基、苯并异噻唑基、苯并异噁唑基、吲哚基、吲哚基、异吲哚基、吲哚啉基、苯并咪唑基、苯并噁唑基、苯并噻唑基、苯并三唑基、咪唑并[1,2-a]吡啶基、吡唑并[1,5-a]吡啶基、[1,2,4]三唑并[4,3-a]吡啶基、噻吩并[2,3-b]吡啶基、噻吩并[3,2-b]吡啶基、1H-吡咯并[2,3-b]吡啶基、茚基、茚基、二氢苯并环庚烯基、四氢苯并环庚烯基、二氢苯并噻吩基、二氢苯并呋喃基、吲啉基、萘基、四氢萘基、喹啉基、异喹啉基、4H-喹啉基、9aH-喹啉基、喹唑啉基、喜啉基、邻苯二嗪基、喹啉基、苯并[1,2,3]三嗪基、苯并[1,2,4]三嗪基、2H-香豆素基、4H-香豆素基或者是一个可选地用取代基（1至4个）取代的螺联苯环或螺联杂环的螺联双环碳环或螺联双环杂环； 其中R1、R2、R3、R4、R5、R6、R7、R8和R14在此处定义。
• Synthesis of α,ω‐Bis‐Enones by the Double Addition of Alkenyl Grignard Reagents to Diacid Weinreb Amides
  作者：Stefan Wiesler、Michael A. Bau、Thomas Niepel、Sara L. Younas、Hieu‐Trinh Luu、Jan Streuff

  DOI：10.1002/ejoc.201901043

  日期：2019.9.30

  The synthesis of bis‐enones from alkenyl bromides and α,ω‐bis‐Weinreb amides via a double Grignard reaction is reported. The work contains reliable protocols for the double addition and the efficient generation of the required substituted alkenyl Grignard reagents from alkenyl bromide precursors.

  据报道，通过双格氏反应由链烯基溴化物和α，ω-双-Weinreb酰胺合成双烯酮。这项工作包含可靠的协议，可以从烯基溴化物前体中进行双添加并有效生成所需的取代烯基格利雅试剂。
• A Unified Approach to Customized Chiral Carbon-Bridged <i>ansa</i> -Metallocenes
  作者：Stefan Wiesler、Michael A. Bau、Sara L. Younas、Hieu-Trinh Luu、Daniel Kratzert、Jan Streuff

  DOI：10.1002/chem.201804497

  日期：2018.11.7

  catalysts for a range of stereoselective transformations. Their synthesis, however, has remained a tremendous challenge, which has prevented a broad and systematic exploration for applications in synthesis and catalysis. A modular approach to such ansa‐metallocenes that enables a facile modification of the ring substitution and the ligand bridge, as well as the introduction of various core metals, is

  手性ansa-茂金属是一系列立体选择性转化的特有催化剂。然而，它们的合成仍然是巨大的挑战，这阻止了在合成和催化中的应用的广泛而系统的探索。本文介绍了一种用于此类ansa-茂金属的模块化方法，该方法可轻松修饰环取代和配体桥，以及引入各种核心金属。该复合物具有良好的形成消旋-选择性和可高纯度地分离。通过合成几种新的和先前已知的复合物（包括独特的螺旋手性ansa）证明了该方法的优势。茂金属。使用手性配体，观察到适度的中心到平面手性转移。
• [EN] MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITING COMPOUNDS<br/>[FR] COMPOSES INHIBANT LA PROTEINE KINASE-2 ACTIVEE PAR LA PROTEINE KINASE ACTIVEE PAR DES AGENTS MITOGENES
  申请人：PHARMACIA CORP

  公开号：WO2004058762A1

  公开（公告）日：2004-07-15

  Compounds are described which inhibit mitogen activated protein kinase-activated protein kinase-2 (MK-2). Methods of using such compounds for the inhibition of MK-2, and for the prevention or treatment of a disease or disorder that is mediated by TNFα, are described, where the method involves administering to the subject an MK-2 inhibiting compound of the present invention. Therapeutic compositions, pharmaceutical compositions and kits which contain the present MK-2 inhibiting compounds are also described.

  本文描述了抑制有丝分裂原活化蛋白激酶激活蛋白激酶2（MK-2）的化合物。描述了使用这些化合物来抑制MK-2，以及预防或治疗由TNFα介导的疾病或障碍的方法，其中该方法涉及向受试者施用本发明的MK-2抑制剂化合物。还描述了包含本MK-2抑制剂化合物的治疗组合物、药物组合物和试剂盒。
• Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds
  申请人：Pharmacia Corporation

  公开号：US20040209897A1

  公开（公告）日：2004-10-21

  Compounds are described which inhibit mitogen activated protein kinase-activated protein kinase-2 (MK-2). Methods of using such compounds for the inhibition of MK-2, and for the prevention or treatment of a disease or disorder that is mediated by TNF&agr;, are described, where the method involves administering to the subject an MK-2 inhibiting compound of the present invention. Therapeutic compositions, pharmaceutical compositions and kits which contain the present MK-2 inhibiting compounds are also described.

  本文描述了抑制有丝分裂原活化蛋白激酶激活蛋白激酶-2（MK-2）的化合物。本文还描述了使用这些化合物来抑制MK-2并预防或治疗由TNFα介导的疾病或障碍的方法，其中该方法涉及向受试者施用本发明的MK-2抑制化合物。本文还描述了包含本MK-2抑制化合物的治疗组合物、制药组合物和试剂盒。