3-(4-bromophenyl)cyclopentanone | 909248-46-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(4-bromophenyl)cyclopentanone
• 英文别名: 3-(4-bromophenyl)cyclopentan-1-one
• CAS: 909248-46-0
• 化学式: C₁₁H₁₁BrO
• 分子量: 239.112
• InChiKey: AJKPXKHWCHZLSF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  1
• 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：

  3-(4-bromophenyl)cyclopentanone 在 ammonium acetate 、 sodium cyanoborohydride 作用下， 以 氘代甲醇-d 为溶剂， 反应 12.0h， 以2.39 g的产率得到3-(4-bromophenyl)cyclopentan-1-amine
  参考文献：
  名称：

  取代的喹啉酮类抑制剂

  摘要：

  本发明取代的喹啉酮类抑制剂涉及式(II)的化合物或其药学上可接受的盐、溶剂化物、活性代谢物、多晶型物、酯、异构体或前药，包含式(II)的化合物的药物组合物及其在治疗与TOPK活性异常相关的疾病中的用途。

  公开号：

  CN108341774B
• 作为产物：
  描述：

  2-环戊烯酮 在 三氯化铝 、 溴 作用下， 以 四氢呋喃 为溶剂， 生成 3-(4-bromophenyl)cyclopentanone
  参考文献：
  名称：

  Design, synthesis, and biochemical evaluation of novel cruzain inhibitors with potential application in the treatment of Chagas’ disease

  摘要：

  A series of compounds bearing tetrahydronaphthalene, benzophenone, propiophenone, and related rigid molecular skeletons functionalized with thiosemicarbazone or unsaturated carbonyl moieties were prepared by chemical synthesis and evaluated for their ability to inhibit the enzyme cruzain. As potential treatment agents for Chagas' disease, three compounds from the group demonstrate potent inhibition of cruzain with IC50 values of 17, 24, and 80 nM, respectively. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.05.041

文献信息

• [EN] OXIME ETHER COMPOUNDS<br/>[FR] COMPOSÉS D'ÉTHER D'OXIME
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2019032631A1

  公开（公告）日：2019-02-14

  Disclosed are compounds of Formula (I): (I) or a salt thereof, wherein: X is CH or N; Y is CH or N; R1 is -OH or -OP(O)(OH)2; L1 is -CR3=N-O-CRaRa- or CRaR-O-N=CR3; L2 is a bond, -C(O)-, or S(O)2-;and R2, R3, Ra, m, and n are defined herein. Also disclosed are methods of using such compounds as selective agonists for G protein coupled receptor S1P1, and pharmaceutical compositions comprising such compounds. These compounds are useful in treating, preventing, or slowing the progression of diseases or disorders in a variety of therapeutic areas, such as autoimmune diseases and vascular disease.

  公开的是Formula (I)的化合物：(I)或其盐，其中：X为CH或N；Y为CH或N；R1为-OH或-OP(O)(OH)2；L1为-CR3=N-O-CRaRa-或CRaR-O-N=CR3；L2为键，-C(O)-或S(O)2-；而R2、R3、Ra、m和n在此处有定义。还公开了将这些化合物用作G蛋白偶联受体S1P1的选择性激动剂的方法，以及包含这些化合物的药物组合物。这些化合物在治疗、预防或减缓多种治疗领域的疾病或疾病的进展方面非常有用，如自身免疫疾病和血管疾病。
• Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies
  作者：Fanyang Mo、Hee Nam Lim、Guangbin Dong

  DOI：10.1021/jacs.5b10466

  日期：2015.12.16

  Here, we describe a detailed study of the rhodium(I)-catalyzed, bifunctional ligand-assisted ketone α-C-H alkenylation using internal alkynes. Through controlling the reaction conditions, conjugated enamines, α,β- or β,γ-unsaturated ketones, can be selectively accessed. Both aromatic and aliphatic alkynes can be employed as coupling partners. The reaction conditions also tolerate a broad range of functional

  在这里，我们描述了使用内部炔烃对铑 (I) 催化的双功能配体辅助酮 α-CH 烯基化的详细研究。通过控制反应条件，可以选择性地获得共轭烯胺、α,β-或β,γ-不饱和酮。芳香族和脂肪族炔烃都可以用作偶联伙伴。反应条件还允许广泛的官能团，包括羧酸酯、丙二酸酯、仲酰胺、硫醚和游离醇。此外，在形成 α,β-不饱和酮产物时，四取代烯烃具有优异的 E 选择性。通过对照实验、动力学监测、铑-氢化物中间体的合成及其与炔烃的反应、氘标记实验、
• 4,8-Disubstituted Bicyclo[3.3.1]nona-2,6-dienes as Chiral Ligands for Rh-Catalyzed Asymmetric 1,4-Addition Reactions
  作者：Renaldas Rimkus、Marius Jurgelėnas、Sigitas Stončius

  DOI：10.1002/ejoc.201500202

  日期：2015.5

  C2-symmetric chiral diene ligands based on 4,8-endo,endo-disubstituted bicyclo[3.3.1]nona-2,6-diene framework have been designed and synthesized. The rhodium complexes of the dienes, which were obtained in a few straightforward steps from enantiomerically pure bicyclo[3.3.1]nonane-2,6-dione, exhibited excellent catalytic activity and high enantioselectivity (up to 96 % ee) in the conjugate addition

  设计并合成了基于 4,8-endo,endo-di 取代双环 [3.3.1]nona-2,6-diene 骨架的 C2 对称手性二烯配体。二烯的铑配合物是从对映体纯的双环[3.3.1]壬烷-2,6-二酮通过几个简单的步骤获得的，在共轭加成中表现出优异的催化活性和高对映选择性（高达 96% ee）芳基硼酸在温和的反应条件下以高原子效率反应成环烯酮。
• TRPV1 Antagonists
  申请人：Gomtsyan Arthur

  公开号：US20120245163A1

  公开（公告）日：2012-09-27

  Disclosed herein are compounds of formula (I) or pharmaceutically acceptable salts, solvates, or combinations thereof, wherein X 1 , X 2 , X 3 , X 4 , J, K, L, X 5 , X 6 , R b , G 2 , and m are defined in the specification. Compositions comprising such compounds and methods for treating conditions and disorders using such compounds and compositions are also disclosed.

  本文揭示了具有以下式（I）的化合物或药用可接受的盐、溶剂或其组合物，其中X1、X2、X3、X4、J、K、L、X5、X6、Rb、G2和m在规范中有定义。还披露了包含这些化合物的组合物以及使用这些化合物和组合物治疗疾病和疾病的方法。
• BICYCLIC COMPOUNDS
  申请人：Bristol-Myers Squibb Company

  公开号：US20140235591A1

  公开（公告）日：2014-08-21

  Disclosed are compounds of Formula (I) and/or a salt thereof; wherein R is —OH or —OP(O)(OH) 2 . Also disclosed are methods of using such compounds as selective agonists for G protein-coupled receptor S1P 1 , and pharmaceutical compositions comprising such compounds. These compounds are useful in treating, preventing, or slowing the progression of diseases or disorders in a variety of therapeutic areas, such as autoimmune diseases and vascular disease.

  公开了化合物Formula (I)及/或其盐；其中R为—OH或—OP(O)(OH)2。还公开了使用这些化合物作为G蛋白偶联受体S1P1的选择性激动剂的方法，以及包含这些化合物的药物组合物。这些化合物在治疗、预防或减缓多种治疗领域的疾病或紊乱方面具有用途，如自身免疫疾病和血管疾病。