4-[[(1,1-二甲基乙基)二苯基甲硅烷基]氧基]-环己酮 | 130745-59-4

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 中文名称: 4-[[(1,1-二甲基乙基)二苯基甲硅烷基]氧基]-环己酮
• 英文名称: 4-(tert-butyldiphenylsilyloxy)cyclohexanone
• 英文别名: 4-((tert-butyldiphenylsilyl)oxy)cyclohexan-1-one；Cyclohexanone, 4-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-；4-[tert-butyl(diphenyl)silyl]oxycyclohexan-1-one
• CAS: 130745-59-4
• 化学式: C₂₂H₂₈O₂Si
• 分子量: 352.549
• InChiKey: QCWGWVNDCMJXAK-UHFFFAOYSA-N

物化性质

• 沸点：
  425.1±45.0 °C(Predicted)
• 密度：
  1.05±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.07
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-[[(1,1-二甲基乙基)二苯基甲硅烷基]氧基]-环己酮 在 硫酸 、 potassium hydride 、 sodium hydride 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 20.0h， 生成 (4S)-4-t-butyldiphenylsilyloxy-2-carbomethoxycyclohexan-1-one
  参考文献：
  名称：

  A Convergent Synthesis of the Cardenolide Skeleton:  Intramolecular Aldol Condensation via Reduction of α-Bromoketones

  摘要：

  Synthesis of the highly biologically valuable cardenolide backbone was achieved via anionic polycyclization. Bromoketone 18, obtained from double-Michael cycloaddition between cyclohexenone 14 and gamma,delta-unsaturated beta-ketoester 16, was efficiently aldolized under reductive conditions. The highly functionalized tetracyclic compound 52 is an important synthetic intermediate that is potentially amenable to natural cardenolide total synthesis.

  DOI：

  10.1021/jo025612b
• 作为产物：
  描述：

  tert-Butyl-(1,4-dioxa-spiro[4.5]dec-8-yloxy)-diphenyl-silane 在 盐酸 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以97%的产率得到4-[[(1,1-二甲基乙基)二苯基甲硅烷基]氧基]-环己酮
  参考文献：
  名称：

  对 quassinoid 骨架的二烯传输方法

  摘要：

  几个四环分子是通过二烯传递的 Diels??Alder 环加成反应制备的。实现了对环加成立体化学结果的控制，并讨论了影响立体化学的前体的结构特征。收集了有关控制这种立体控制的因素的有用信息，这对于该策略的未来是必不可少的。关键词：类苦参素，抗癌剂，二烯传递 Diels??Alder 环加成，氧二烯，杂 Diels??Alder。

  DOI：

  10.1139/v02-196

文献信息

• [EN] GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE<br/>[FR] INHIBITEURS DE GLYCOLATE OXYDASE POUR LE TRAITEMENT D'UNE MALADIE
  申请人：BIOMARIN PHARM INC

  公开号：WO2020257487A1

  公开（公告）日：2020-12-24

  Described herein are compounds, methods of making such compounds, pharmaceutical compositions and medicaments containing such compounds, and methods of using such compounds to treat or prevent diseases or disorders associated with a defect in glyoxylate metabolism, for example a disease or disorder associated with the enzyme glycolate oxidase (GO) or alterations in oxalate metabolism. Such diseases or disorders include, for example, disorders of glyoxylate metabolism, including primary hyperoxaluria, that are associated with production of excessive amounts of oxalate.

  本文描述了化合物、制备这种化合物的方法、含有这种化合物的药物组合物和药物，以及使用这种化合物治疗或预防与甘氧酸代谢缺陷相关的疾病或紊乱的方法，例如与甘氧酸氧化酶（GO）或草酸代谢变化相关的疾病或紊乱。这些疾病或紊乱包括与产生过多草酸相关的甘氧酸代谢紊乱，例如原发性高草酸尿症。
• [EN] DNA-PK INHIBITING COMPOUNDS<br/>[FR] COMPOSÉS INHIBITEURS DE L'ADN-PK
  申请人：PROVINCIAL HEALTH SERVICES AUTHORITY

  公开号：WO2021050059A1

  公开（公告）日：2021-03-18

  The present disclosure relates to DNA-PK inhibiting compounds and prodrugs thereof that are useful in the treatment of diseases, including cancer. In particular, the compounds sensitise cancers to therapies such as chemotherapy and radiotherapy.

  本公开涉及DNA-PK抑制化合物及其前药，它们可用于治疗包括癌症在内的疾病。特别是，这些化合物能够增强癌症对化疗和放疗等疗法的敏感性。
• Oxidation of Alcohols to Aldehydes or Ketones with 1-Acetoxy-1,2-benziodoxole-3(1<i>H</i>)-one Derivatives
  作者：Masataka Iinuma、Katsuhiko Moriyama、Hideo Togo

  DOI：10.1002/ejoc.201301466

  日期：2014.2

  smoothly oxidized to the corresponding aromatic aldehydes and ketones as well as aliphatic ketones by treatment with 1-acetoxy-5-nitro-1,2-benziodoxole-3(1H)-one (ANBX), 1-acetoxy-5-bromo-1,2-benziodoxole-3(1H)-one (ABBX), 1-acetoxy-5-chloro-1,2-benziodoxole-3(1H)-one (ACBX), and 1-acetoxy-5-fluoro-1,2-benziodoxole-3(1H)-one (AFBX). These new trivalent iodine compounds were prepared from 5-substituted

  通过用 1-acetoxy-5-nitro-1,2-benziodoxole-3(1H)-one (ANBX), 1-acetoxy 处理，各种苄醇和脂肪醇被顺利氧化为相应的芳香醛和酮以及脂肪酮-5-bromo-1,2-benziodoxole-3(1H)-one (ABBX)、1-acetoxy-5-chloro-1,2-benziodoxole-3(1H)-one (ACBX) 和 1-acetoxy- 5-fluoro-1,2-benziodoxole-3(1H)-one (AFBX)。这些新的三价碘化合物是由 5-取代的 2-碘苯甲酸和间氯过氧苯甲酸 (m-CPBA) 制备的。ANBX 和 ABBX 是这种醇氧化最有效的试剂，由于产物分离容易和试剂可重复使用，本反应非常有吸引力。
• Welwistatin Support Studies:  Expansion and Limitation of Aryllead(IV) Coupling Reactions
  作者：Jibo Xia、Lauren E. Brown、Joseph P. Konopelski

  DOI：10.1021/jo071156l

  日期：2007.8.31

  target step involves lead-mediated arylation of sterically demanding aryl groups and carbon acid coupling partners in order to establish the highly congested tetracyclic core structure. Type 7 β-ketoesters and β-ketonitriles were successfully arylated with a variety of ortho- and meta-substituted aryllead compounds generated by a halogen−boron−lead exchange sequence. The enolates of compounds 15, 19

  描述了有关welwistatin系统总合成的最新支持研究。目标步骤涉及空间需要的芳基和碳酸偶联剂的铅介导的芳基化，以建立高度拥挤的四环核结构。键入7 β酮酯和β酮腈成功芳基化与各种被卤素-硼-铅交换序列生成邻位和间位取代的芳基铅化合物。化合物的烯醇化物15，19，和25，邻近该芳基化位点，每个轴承的全碳季中心，未能耦合。
• [EN] QUINOLONECARBOXYLIC ACID COMPOUNDS HAVING 5-HT4 RECEPTOR AGONISTIC ACTIVITY<br/>[FR] COMPOSES D'ACIDE QUINOLONECARBOXYLIQUE A ACTIVITE AGONISTE DU RECEPTEUR 5-HT4
  申请人：PFIZER JAPAN INC

  公开号：WO2005049608A1

  公开（公告）日：2005-06-02

  This invention provides a compound of the formula (I): wherein Het represents a heterocyclic group having one nitrogen atom, to which B binds directly, and from 4 to 7 carbon atoms, and said heterocyclic group being unsubstituted or substituted by 1 to 4 substituents independently selected from the group consisting of substituents α1;A represents an alkylene group having from 1 to 4 carbon atoms; B represents a covalent bond or an alkylene group having from 1 to 5 carbon atoms; Rl represents an isopropyl group, a n-propyl group or a cyclopentyl group; R2 represents a methyl group, a fluorine atom or a chlorine atom; R3 independently represents (i) an oxo group, a hydroxy group, an amino group, an alkylamino group or a carboxyl group; (ii) a cycloalkyl group having from 3 to 8 carbon atoms, and said cycloalkyl group being substituted by 1 to 5 substituents, or (iii) a heterocyclic group having from 3 to 8 atoms, and said heterocyclic group being unsubstituted or substituted by 1 to 5 substituents, and n is 1, 2 or 3, or a pharmaceutically acceptable salts thereof. These compounds have 5-HT4 receptor agonistic activity, and thus are useful for the treatment of gastroesophageal reflux disease, non-ulcer dyspepsia, functional dyspepsia, irritable bowel syndrome or the like in mammalian, especially humans.

  该发明提供了一种化合物，其化学式为（I）：其中Het代表含有一个氮原子的杂环基团，其中B直接结合，含有从4到7个碳原子，该杂环基团未取代或者取代1到4个独立选择自α1取代基的取代基；A代表含有从1到4个碳原子的烷基基团；B代表共价键或含有从1到5个碳原子的烷基基团；R1代表异丙基基团、正丙基基团或环戊基团；R2代表甲基基团、氟原子或氯原子；R3独立代表（i）酮基、羟基、氨基、烷基氨基或羧基；（ii）含有从3到8个碳原子的环烷基团，该环烷基团被1到5个取代基取代；或（iii）含有从3到8个原子的杂环基团，该杂环基团未取代或者取代1到5个取代基，n为1、2或3，或其药学上可接受的盐。这些化合物具有5-HT4受体激动活性，因此对于哺乳动物，特别是人类的胃食管反流病、非溃疡性消化不良、功能性消化不良、肠易激综合征等的治疗是有用的。