[3-(bromomethyl)-4-chlorophenoxy](tert-butyl)dimethylsilane | 181648-43-1

• 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-(bromomethyl)-4-chlorophenoxy](tert-butyl)dimethylsilane
• 英文别名: (3-Bromomethyl-4-chloro-phenoxy)-tert-butyl-dimethyl-silane；[3-(bromomethyl)-4-chlorophenoxy]-tert-butyl-dimethylsilane
• CAS: 181648-43-1
• 化学式: C₁₃H₂₀BrClOSi
• 分子量: 335.744
• InChiKey: DIQMBMRMVXELMW-UHFFFAOYSA-N

物化性质

• 沸点：
  301.0±32.0 °C(Predicted)
• 密度：
  1.228±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.62
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  [3-(bromomethyl)-4-chlorophenoxy](tert-butyl)dimethylsilane 在 lithium aluminium tetrahydride 、 lithium diisopropyl amide 作用下， 以 乙醚 为溶剂， 反应 4.67h， 生成 3-[5-[Tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]propan-1-ol
  参考文献：
  名称：

  Synthesis of an Azasteroid Using an Acyl Iminium Ion-Initiated Tandem Cyclization

  摘要：

  An acyl iminium ion-initiated tandem cyclization gave an unexpected dienone product, a secoazasteroid (2). The factors governing the formation of 2 were investigated in an attempt to optimize its formation. The reaction was applied to a more elaborate system, resulting in the synthesis of the full steroid skeleton of 13-azaandrosta-1,4-diene-3,17-dione (8), which contains the unusual substitution of a chlorine atom for the axial 19-methyl.

  DOI：

  10.1021/jo960673t
• 作为产物：
  描述：

  4-氯-3-甲基苯酚 在 咪唑 、 N-溴代丁二酰亚胺(NBS) 、 过氧化氢苯甲酰 作用下， 以 四氯化碳 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 [3-(bromomethyl)-4-chlorophenoxy](tert-butyl)dimethylsilane
  参考文献：
  名称：

  Synthesis of an Azasteroid Using an Acyl Iminium Ion-Initiated Tandem Cyclization

  摘要：

  An acyl iminium ion-initiated tandem cyclization gave an unexpected dienone product, a secoazasteroid (2). The factors governing the formation of 2 were investigated in an attempt to optimize its formation. The reaction was applied to a more elaborate system, resulting in the synthesis of the full steroid skeleton of 13-azaandrosta-1,4-diene-3,17-dione (8), which contains the unusual substitution of a chlorine atom for the axial 19-methyl.

  DOI：

  10.1021/jo960673t

文献信息

• Discovery of small-molecule nonpeptide antagonists of nociceptin/orphanin FQ receptor: The studies of design, synthesis, and structure–activity relationships for (4-arylpiperidine substituted-methyl)-[bicyclic (hetero)cycloalkanobenzene] derivatives
  作者：Shigeo Hayashi、Katsuyo Ohashi、Sachiko Mihara、Eriko Nakata、Chie Emoto、Atsuko Ohta

  DOI：10.1016/j.ejmech.2016.02.014

  日期：2016.5

  lic (hetero)cycloalkanobenzene] analogs was designed, synthesized, and biologically evaluated in vitro to seek and identify potent and selective, small-molecules of nonpeptide NOP receptor antagonists, which resulted in the discovery of novel potent small-molecule 15 with high human NOP receptor selectivity over human mu receptor. The structure-activity relationship (SAR) of the potency and selectivity

  Nociceptin / orphanin FQ（N / OFQ）和N / OFQ肽（NOP）受体在中枢神经系统（CNS），周围神经系统，免疫系统和周围组织等各个区域表达和分布。N / OFQ和NOP受体在生物体内的各种生理，病理生理，调节和失调机制中具有重要作用。NOP受体功能的激活和阻断都已显示出NOP受体激动剂和拮抗剂分别用于治疗各种疾病或病理生理状况的临床潜力。有效的和选择性的NOP受体激动剂/拮抗剂也是研究NOP受体N / OFQ系统介导的各种机制的有用工具。作为目前的研究，设计，合成了一系列（4-芳基哌啶取代的甲基）-[双环（杂）环烷烃苯]类似物，并在体外进行了生物学评估，以寻找和鉴定有效且选择性的非肽NOP受体拮抗剂小分子，从而得到了新型高效小分子15的发现，该分子具有比人类mu受体更高的人类NOP受体选择性。本发明类似物的hERG（人与人为相关的基因）钾离子通道结合亲和力的
• Fatty acid synthase inhibitors
  申请人：——

  公开号：US20030220392A1

  公开（公告）日：2003-11-27

  This invention relates to the use of compounds as inhibitors of the fatty acid synthase FabH.

  本发明涉及将化合物用作脂肪酸合酶FabH的抑制剂。
• Tetrahydroisoquinoline or isochroman compounds
  申请人：Ito Fumitaka

  公开号：US20050153998A1

  公开（公告）日：2005-07-14

  This invention provides the compounds of formula (I): or its a pharmaceutically acceptable ester or amide of such compound, or a pharmaceutically acceptable salt thereof, wherein X 1 is NH; R 1 , R 2 , R 4 through R 6 and R 7 through R 11 are all hydrogen; R 3 is hydroxy; X 2 and X 3 are methylene; X 4 is a bond; and X 5 is a carbon atom, and the like. These compounds have ORL1-receptor antagonist activity; and therefore, are useful to treat diseases or conditions such as pain, various CNS diseases etc.

  该发明提供了式(I)的化合物：或其药物可接受的酯或酰胺，或其药物可接受的盐，其中X1为NH; R1、R2、R4至R6和R7至R11均为氢; R3为羟基; X2和X3为亚甲基; X4为键; X5为碳原子等。这些化合物具有ORL1受体拮抗活性; 因此，可用于治疗疼痛、各种中枢神经系统疾病等疾病或症状。
• Alpha-(Aryl-or Heteroaryl-Methyl)-Beta-Piperidinopropanoic Acid Compounds as Orl-1-Receptor Antagonists
  申请人：Hashizume Yoshinobu

  公开号：US20080207665A1

  公开（公告）日：2008-08-28

  This invention provides the compounds of formula (I): or a pharmaceutically acceptable ester or salt thereof, wherein R 1 and R 2 independently represent hydrogen or the like; R 3 represents aryl or the like; —X—Y— represents —CH 2 O— or the like, and n represents 0, 1 or 2. These compounds have ORL1-receptor antagonist activity; and therefore, are useful to treat diseases or conditions such as pain, various CNS diseases etc.

  本发明提供了以下化合物的配方(I)：或其药学上可接受的酯或盐，其中R1和R2独立地代表氢或类似物；R3代表芳基或类似物；-X-Y-代表-CH2O-或类似物，n代表0、1或2。这些化合物具有ORL1受体拮抗活性；因此，它们可用于治疗疼痛、各种中枢神经系统疾病等疾病或病况。
• WO2006/134485
  申请人：——

  公开号：——

  公开（公告）日：——