(+/-)-11-allyl-8-fluoro-5,11-dihydro-10H-dibenzo[a,d]cyclohepten-10-one | 872974-47-5

• 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: (+/-)-11-allyl-8-fluoro-5,11-dihydro-10H-dibenzo[a,d]cyclohepten-10-one
• 英文别名: 6-Fluoro-10-prop-2-enyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one
• CAS: 872974-47-5
• 化学式: C₁₈H₁₅FO
• 分子量: 266.315
• InChiKey: CQBZHLKMSVLGRP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (+/-)-11-allyl-8-fluoro-5,11-dihydro-10H-dibenzo[a,d]cyclohepten-10-one 在 bis(pyridine)iodonium tetrafluoroborate 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以92%的产率得到17-Fluoro-4-(iodomethyl)-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),7,9,11,15,17-heptaene
  参考文献：
  名称：

  [EN] NOVEL UNSATURATED TETRACYCLIC TETRAHYDROFURAN DERIVATIVES
  [FR] NOUVEAUX DÉRIVÉS DE TÉTRAHYDROFURANE TÉTRACYCLIQUES INSATURÉS

  摘要：

  公开号：

  WO2006000555A3
• 作为产物：
  描述：

  6-Fluoro-9-prop-2-enoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene 以 甲苯 为溶剂， 反应 10.0h， 以50%的产率得到(+/-)-11-allyl-8-fluoro-5,11-dihydro-10H-dibenzo[a,d]cyclohepten-10-one
  参考文献：
  名称：

  [EN] NOVEL UNSATURATED TETRACYCLIC TETRAHYDROFURAN DERIVATIVES
  [FR] NOUVEAUX DÉRIVÉS DE TÉTRAHYDROFURANE TÉTRACYCLIQUES INSATURÉS

  摘要：

  公开号：

  WO2006000555A3

文献信息

• Diastereomeric Enols and Enol Derivatives of 8-Fluoro-5,11-dihydro-10H-dibenzo[a,d]cyclohepten-10-one with a Chiral 11-Substituent
  作者：Frans Compernolle、Suzanne Toppet、Thierry Brossette、Hua Mao、Mohamed Koukni、Tomasz Kozlecki、Bart Medaer、Michel Guillaume、Yolande Lang、Stef Leurs、Georges J. Hoornaert

  DOI：10.1002/ejoc.200500796

  日期：2006.3

  Aldol condensation of 8-fluoro-5,11-dihydro-10H-dibenzo[a,d]cyclohepten-10-one and (4S)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde provides access to the corresponding (E,Z)-α,β-unsaturated ketones with a (4R)-chiral 11-substituent. Subsequent hydrogenation affords a mixture of (11R)/(11S)-epimeric ketones, which undergoes base-catalysed equilibration resulting in selective crystallisation of the (11R)

  8-氟-5,11-二氢-10H-二苯并[a,d]环庚烯-10-酮和(4S)-2,2-二甲基-1,3-二氧戊环-4-甲醛的羟醛缩合提供了获得相应的 (E,Z)-α,β-不饱和酮具有 (4R)-手性 11-取代基。随后的氢化提供 (11R)/(11S)-差向异构酮的混合物，其经历碱催化平衡，导致 (11R) 差向异构体的选择性结晶。烯醇中间体和无环烯醇衍生物显示为两个缓慢相互转换的构象异构体，具有 10,11-二取代环的高反转势垒。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)
• 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.
• US8022102B2
  申请人：——

  公开号：US8022102B2

  公开（公告）日：2011-09-20
• [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