2-Brom-11-oxodibenzocycloheptadien | 19580-29-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 二苯并环庚烯
• 英文名称: 2-Brom-11-oxodibenzocycloheptadien
• 英文别名: 6-Bromotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one
• CAS: 19580-29-1
• 化学式: C₁₅H₁₁BrO
• 分子量: 287.156
• InChiKey: XDIFPDJWYFQKIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 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：

  2-Brom-11-oxodibenzocycloheptadien 生成 2-bromo-5H-dibenzo[a,d]cycloheptene
  参考文献：
  名称：

  Derivatives of 1-Phenylphthalan, 2-Methyl-1-phenylisoindoline, and 5H-Dibenzo[a,d]cycloheptene Oxides; Synthesis and Conformational Aspects

  摘要：

  为了将化学位移和双原子耦合常数与立体化学相关联，已经合成了一些具有固定几何结构的化合物。其中包括七种6-取代的1-苯基萘酚、五种6-取代的2-甲基-1-苯基异吲哚啉和六种2-取代的5H-二苯并[a,d]环庚烷氧化物。讨论了这三个环系的几何特性，并通过n.O.e.测量支持了后一系列中准赤道环氧基取代基的优势论点。

  DOI：

  10.1139/v71-125
• 作为产物：
  描述：

  2(4-Brombenzyl)benzylbromid 在 氢氧化钾 、 phosphorus pentoxide 作用下， 生成 2-Brom-11-oxodibenzocycloheptadien
  参考文献：
  名称：

  Fouche; Blondel; Horclois, Bulletin de la Societe Chimique de France, 1972, vol. 8, p. 3113 - 3130

  摘要：

  DOI：

文献信息

• [EN] NOVEL TETRACYCLIC TETRAHYDROFURAN DERIVATIVES<br/>[FR] NOUVEAUX DERIVES TETRACYCLIQUES DE TETRAHYDROFURANE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2005121113A1

  公开（公告）日：2005-12-22

  This invention concerns novel substituted tetracyclic tetrahydrofuran derivatives of Formula (I), an N-oxide form, a pharmaceutically acceptable addition salt or a stereochemically isomeric form thereof wherin the variables are declared as in Claim 1. These compound have binding affinities towards serotonin receptors, in particular 5­HT2A and 5-HT2c receptors, and towards dopamine receptors, in particular dopamine D2 receptors and with norepinephrine (NE) reuptake inhibition properties, pharmaceutical compositions comprising the compounds according to the invention, the use thereof as a medicine, in particular for the prevention and/or treatment of a range of psychiatric and neurological disorders, in particular certain psychotic, cardiovascular and gastrokinetic disorders and processes for their production.

  这项发明涉及公式（I）的新型取代四环四氢呋喃衍生物，其为N-氧化物形式，药学上可接受的加盐物或其立体化学异构体形式，其中变量如权利要求书1中所述。这些化合物具有对5-羟色胺受体，特别是5-HT2A和5-HT2c受体，多巴胺受体，特别是多巴胺D2受体以及去甲肾上腺素（NE）再摄取抑制性能的结合亲和力，包括根据本发明的化合物的药物组合物，其用作药物，特别是用于预防和/或治疗一系列精神疾病和神经系统疾病，特别是某些精神病性、心血管和胃动力紊乱，以及其生产方法。
• [EN] NOVEL UNSATURATED TETRACYCLIC TETRAHYDROFURAN DERIVATIVES<br/>[FR] NOUVEAUX DÉRIVÉS DE TÉTRAHYDROFURANE TÉTRACYCLIQUES INSATURÉS
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2006000555A3

  公开（公告）日：2006-08-17
• NOVEL TETRACYCLIC TETRAHYDROFURAN DERIVATIVES
  申请人：Janssen Pharmaceutica NV

  公开号：EP1761514B1

  公开（公告）日：2008-07-30
• Novel tetracyclic tetrahydrofuran derivatives
  申请人：Cid-Nunez Maria Jose

  公开号：US20070191469A1

  公开（公告）日：2007-08-16

  This invention concerns novel substituted unsaturated tetracyclic tetrahydrofuran derivatives with binding affinities towards serotonine receptors, in particular 5-HT 2A and 5-HT 2C receptors, and towards dopamine receptors, in particular dopamine D2 receptors and with norepinephrine reuptake inhibition properties, pharmaceutical compositions comprising the compounds according to the invention, the use thereof as a medicine, in particular for the prevention and/or treatment of a range of psychiatric and neurological disorders, in particular certain psychotic, cardiovascular and gastrokinetic disorders and processes for their production. The compounds according to the invention can be represented by general Formula (I) and comprises also the pharmaceutically acceptable acid or base addition salts thereof, the stereochemically isomeric forms thereof, the N-oxide form thereof and prodrugs thereof, wherein all substitutents are defined as in Claim 1.
• NOVEL UNSATURATED TETRACYCLIC TETRAHYDROFURAN DERIVATIVES
  申请人：Núñez José Maria

  公开号：US20120035170A1

  公开（公告）日：2012-02-09

  This invention concerns novel substituted unsaturated tetracyclic tetrahydrofuran derivatives with binding affinities towards serotonine receptors, in particular 5-HT 2A and 5-HT 2C receptors, and towards dopamine receptors, in particular dopamine D2 receptors and with norepinephrine reuptake inhibition properties, pharmaceutical compositions comprising the compounds according to the invention, the use thereof as a medicine, in particular for the prevention and/or treatment of a range of psychiatric and neurological disorders, in particular certain psychotic, cardiovascular and gastrokinetic disorders and processes for their production. The compounds according to the invention can be represented by general Formula (I) and comprises also the pharmaceutically acceptable acid or base addition salts thereof, the stereochemically isomeric forms thereof, the N-oxide form thereof and prodrugs thereof, wherein all substituents are defined as in claim 1.