(1-chloro-cycloheptyl)-phenyl-methanone | 7278-77-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1-chloro-cycloheptyl)-phenyl-methanone
• 英文别名: (1-chlorocycloheptyl)phenylmethanone；(1-chlorocycloheptyl)-phenylmethanone
• CAS: 7278-77-5
• 化学式: C₁₄H₁₇ClO
• 分子量: 236.741
• InChiKey: UYTWXRGEDJYPFI-UHFFFAOYSA-N

物化性质

• 沸点：
  341.6±25.0 °C(Predicted)
• 密度：
  1.11±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  (1-chloro-cycloheptyl)-phenyl-methanone 在 silver nitrate 水 、 trimethylsilyldiazomethane 作用下， 以 1,4-二氧六环 、 甲苯 、 乙腈 为溶剂， 反应 6.25h， 生成 (R)-1-[2-(4-methoxy-benzyloxy)-ethyl]-3-(1-phenyl-cycloheptanecarbonyloxy)-1-azonia-bicyclo[2.2.2]octane formate
  参考文献：
  名称：

  QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS

  摘要：

  这项发明提供了式(I)的命名化合物，其中R4是N-取代的喹啉啶(I)药物组合物以及制备药物组合物的方法。还披露了它们在治疗由M3胆碱能受体介导的疾病，如慢性阻塞性肺病中的用途。

  公开号：

  US20110172237A1
• 作为产物：
  描述：

  环庚烷腈 在 磺酰氯 作用下， 以 乙醚 为溶剂， 生成 (1-chloro-cycloheptyl)-phenyl-methanone
  参考文献：
  名称：

  [EN] QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS
  [FR] DÉRIVÉS DE QUINUCLIDINE UTILISÉS COMME ANTAGONISTES DES RÉCEPTEURS MUSCARINIQUES M3

  摘要：

  公开号：

  WO2009138707A9

文献信息

• 1,2‐Addition of α,α,α‐Trichlorotoluene to Ketones via a Mg Barbier Reaction in DMF: New Route to Cycloalk‐1‐en‐1‐yl and Alk‐1‐en‐1‐yl Phenyl Ketones
  作者：Akima Aaziz、Sylvain Oudeyer、Eric Léonel、Jean Paul Paugam、Jean‐Yves Nédélec

  DOI：10.1080/00397910701198971

  日期：2007.4.1

  Abstract The reductive cyclocondensation of α,α,α‐trichlorotoluene to enolisable ketones enables the preparation of (cyclo)alken‐1‐en‐1‐yl phenyl ketones via the formation of an intermediate chlorooxirane.

  摘要 α,α,α-三氯甲苯还原环缩合反应生成可烯化酮，可以通过形成中间体氯环氧乙烷来制备（环）链烯-1-烯-1-基苯基酮。
• PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A Beta2-ADRENOCEPTOR AGONIST
  申请人：Ford Rhonan

  公开号：US20110190309A1

  公开（公告）日：2011-08-04

  The invention provides a pharmaceutical product, kit or composition comprising a first active ingredient which is a selected muscarinic receptor antagonist, and a second active ingredient which is a β 2 -adrenoceptor agonist, or use in the treatment of respiratory diseases such as chronic obstructive pulmonary disease and asthma.

  本发明提供了一种药物产品、套装或组合物，包括第一活性成分，该成分是选择的肌动蛋白受体拮抗剂，和第二活性成分，该成分是β2-肾上腺素受体激动剂，或用于治疗呼吸系统疾病，如慢性阻塞性肺疾病和哮喘。
• Quinuclidine derivatives as muscarinic M3 receptor antagonists
  申请人：Astrazeneca AB

  公开号：US08329729B2

  公开（公告）日：2012-12-11

  The invention provides named compounds of formula (I), wherein R4 is a N-substituted quinuclidine (I) pharmaceutical compositions containing them and a process for preparing the pharmaceutical compositions. Their use in therapy for the treatment of conditions mediated by M3 muscarinic receptors, such as chronic obstructive pulmonary disease is also disclosed.

  该发明提供了式(I)的命名化合物，其中R4是一种N-取代的喹诺啉，还提供了含有这些化合物的制药组合物以及制备制药组合物的过程。还披露了它们在治疗由M3胆碱能受体介导的疾病，如慢性阻塞性肺疾病的用途。
• The design of a novel series of muscarinic receptor antagonists leading to AZD8683, a potential inhaled treatment for COPD
  作者：Antonio Mete、Keith Bowers、Richard J. Bull、Helen Coope、David K. Donald、Katherine J. Escott、Rhonan Ford、Ken Grime、Andrew Mather、Nicholas C. Ray、Vince Russell

  DOI：10.1016/j.bmcl.2013.09.092

  日期：2013.12

  A novel series of muscarinic receptor antagonists was developed, with the aim of identifying a compound with high M-3 receptor potency and a reduced risk of dose-limiting side effects with potential for the treatment of COPD.Initial compound modifications led to a novel cycloheptyl series, which was improved by focusing on a quinuclidine sub-series. A wide range of N-substituents was evaluated to determine the optimal substituent providing a high M-3 receptor potency, high intrinsic clearance and high human plasma protein binding. Compounds achieving in vitro study criteria were selected for in vivo evaluation. Pharmacokinetic half-lives, inhibition of bronchoconstriction and duration of action, as well as systemic side effects, induced by the compounds were assessed in guinea-pig models.Compounds with a long duration of action and good therapeutic index were identified and AZD8683 was selected for progression to the clinic. (C) 2013 Elsevier Ltd. All rights reserved.
• Ring-Size Effects in the Neophyl Rearrangement. VI.¹ The 1-Phenylcycloheptylcarbinyl System
  作者：James W. Wilt、Joseph F. Zawadzki、David G. Schultenover

  DOI：10.1021/jo01341a055

  日期：1966.3