9-bromo-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one | 72472-29-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 9-bromo-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one
• 英文别名: 9-bromo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one；5-bromo-1-benzosuberone；9-bromobenzosuberone；9-bromo-6,7,8,9-tetrahydrobenzocyclohepten-5-one；9-bromo-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
• CAS: 72472-29-8
• 化学式: C₁₁H₁₁BrO
• 分子量: 239.112
• InChiKey: HZPXWGZCCZHHFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  9-bromo-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one 在 苄基三乙基氯化铵 sodium hydroxide 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 反应 15.0h， 生成 (2S,4S)-3,3-dichlorotricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-one
  参考文献：
  名称：

  General Photoisomerization Approach to trans-Benzobicyclo[5.1.0]octenes: Synthetic and Mechanistic Studies

  摘要：

  The preparation and photoisomerization of cis-bicyclo[5.1.0]octenes (+)-3, 16, and 21-23 are described. For the benzannulated substrates, the primary photochemical events established photostationary states between the cis isomers and the trans-fused cyclopropanes (+)-9, 32, 37, and 44. Studies employing enantioenriched 21, 32, and 44 demonstrated that the reactions occurred primarily but not exclusively via cleavage of the peripheral benzylic cyclopropane bonds. Utilization of the triplet quencher piperylene revealed a predominance of triplet diradical intermediates in the trans-to-cis conversions and afforded an improved protocol for preparative isomerizations.

  DOI：

  10.1021/jo00101a025
• 作为产物：
  描述：

  1-苯并环庚酮 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 作用下， 以 四氯化碳 为溶剂， 反应 2.0h， 以77%的产率得到9-bromo-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one
  参考文献：
  名称：

  Generation of cycloheptynes and cyclooctynes via a sulfoxide–magnesium exchange reaction of readily synthesized 2-sulfinylcycloalkenyl triflates

  摘要：

  环庚烯和环庚炔已通过易于合成的2-磺酰基环烯基三氟甲磺酸酯的亚砜-镁交换反应高效生成。

  DOI：

  10.1039/c5cc01784j

文献信息

• CARBOXAMIDE INHIBITORS
  申请人：NOVARTIS AG

  公开号：US20170088546A1

  公开（公告）日：2017-03-30

  The present invention provides a compound of formula I The compounds of formula I demonstrate properties as Smurf-1 inhibitors and are thus useful in the treatment of a range of disorders, particularly pulmonary arterial hypertension.

  本发明提供了一种I式化合物。式I化合物表现出Smurf-1抑制剂的特性，因此在治疗一系列疾病，特别是肺动脉高压方面具有用处。
• Tetrahydrobenzindole derivatives
  申请人：Meiji Seika Kaisha, Ltd.

  公开号：US06498251B1

  公开（公告）日：2002-12-24

  Compounds containing tetrahydrobenzindole which bind to serotonin receptor and are useful in treatment or prevention of disease induced by abnormality of central peripheral serotonin controlling functions.

  含有四氢苯并吲哚的化合物结合到5-羟色胺受体，在治疗或预防由中枢外周5-羟色胺控制功能异常引起的疾病中有用。
• [EN] AMINO-PYRIDINE-CONTAINING SPLEEN TYROSINE KINASE (SYK) INHIBITORS<br/>[FR] INHIBITEURS DE TYROSINE KINASE SPLÉNIQUE CONTENANT UNE AMINOPYRIDINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2012151137A1

  公开（公告）日：2012-11-08

  The invention provides certain amino-pyridine-containing compounds of the Formula (I) or pharmaceutically acceptable salts thereof, wherein R1, R2, R3, R4, R5, R6, R7, R8, R9, and n are as defined herein. The invention also provides pharmaceutical compositions comprising such compounds, and methods of using the compounds for treating diseases or conditions mediated by Spleen Tyrosine Kinase (Syk) kinase.

  该发明提供了具有以下化学式(I)的某些含氨基吡啶的化合物或其药用盐，其中R1、R2、R3、R4、R5、R6、R7、R8、R9和n的定义如本文所述。该发明还提供了包括这些化合物的药物组合物，以及利用这些化合物治疗由脾酪氨酸激酶（Syk）激酶介导的疾病或病况的方法。
• Reaction of sodium cyanide with 5-bromo-1-benzosuberone: a reappraisal
  作者：David Crich、Ste´phane Gastaldi

  DOI：10.1039/a909470i

  日期：——

  The reaction of 5-bromo-1-benzosuberone with KCN or NaCN in hot DMSO leads, not to the formation of 5-cyano-1-benzosuberone as previously reported, but to the 4-cyano isomer via elimination to benzo-4-suberen-1-one and subsequent conjugate addition.

  5-溴-1-苯并亚砜与KCN或NaCN在高温下的反应 二甲基亚砜导致不是如先前报道的那样形成了5-氰基-1-苯并亚砜，而是通过消除为苯并-4-丁烯-1-酮并随后添加了共轭物而导致了4-氰基异构体 。
• Novel Mast Cell-Stabilising Amine Derivatives of 3,4-Dihydronaphthalen-1(2H)-one and 6,7,8,9-Tetrahydro-5H-benzo[7]annulen-5-one
  作者：James W. Barlow、Tao Zhang、Orla Woods、Adam J. Byrne、John J. Walsh

  DOI：10.2174/157340611795564222

  日期：2011.5.1

  In an investigation of 4-amino-3,4-dihydronaphthalen-1(2H)-ones as novel modulators of allergic and inflammatory phenomena, we have investigated a series of cyclic analogues. Tertiary amines of structural types 9, 10, 20 and 21 were synthesised and evaluated for mast cell stabilising activity. In vitro and in vivo studies showed that of these compounds, the cyclohexenylamino derivatives of tetralone and benzosuberone of series 20 and 21 exhibited interesting activity both in vitro and in vivo.

  在对4-氨基-3,4-二氢萘-1(2H)-酮作为过敏和炎症现象的新型调节剂的研究中，我们调查了一系列环状类似物。合成了结构类型为9、10、20和21的三级胺，并评估其肥大细胞稳定活性。体外和体内研究表明，这些化合物中，20和21系列的环己烯基氨基四氢萘和苯并苏冰类衍生物在体外和体内都表现出有趣的活性。