(4-iodobutan-2-yloxy)-(tert-butyl)dimethylsilane | 201303-88-0

• 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
• 英文名称: (4-iodobutan-2-yloxy)-(tert-butyl)dimethylsilane
• 英文别名: tert-butyl((4-iodobutan-2-yl)oxy)dimethylsilane；(1,1-dimethylethyl)(3-iodo-1-methylpropoxy)dimethylsilane；tert-butyl-(4-iodobutan-2-yloxy)-dimethylsilane
• CAS: 201303-88-0
• 化学式: C₁₀H₂₃IOSi
• 分子量: 314.282
• InChiKey: KMZZHZPGWRWKGX-UHFFFAOYSA-N

物化性质

• 沸点：
  248.9±23.0 °C(Predicted)
• 密度：
  1.232±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.22
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 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：

  (4-iodobutan-2-yloxy)-(tert-butyl)dimethylsilane 在 六甲基磷酰三胺 、 双(三甲基硅烷基)氨基钾 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  二萜类化合物（±）-verrucosan-2β-ol，（±）-neoverrucosan-5β-ol和（±）-homoverrucosan-5β-ol的总合成。Sesterterpenoid variecolin的合成方法

  摘要：

  描述了有效的全合成外消旋形式的二萜类verrucosan-2β-ol（5），neoverrucosan-5β-ol（6）和homoverrucosan-5β-ol（7）。关键中间体15的生产表明可能合成四环天然产物variecolin（1）。

  DOI：

  10.1016/s0040-4039(97)10507-x
• 作为产物：
  描述：

  (3-chloro-1-methylpropoxy)(1,1-dimethylethyl)dimethylsilane 在 sodium iodide 作用下， 以 丙酮 为溶剂， 反应 45.0h， 以96%的产率得到(4-iodobutan-2-yloxy)-(tert-butyl)dimethylsilane
  参考文献：
  名称：

  3,4-Dihdro-N-[[1-(3-hydroxybutyl)-4-piperidinyl]methyl]-2H-[1,3]oxazino[3,2-a]indole-10-carboxamide as 5-HT(4) receptor antagonist

  摘要：

  3,4-二氢-N-[[1-(3-羟基丁基-4-哌啶基)甲基]-2H-[1,3]噁唑并[3,2-α]吲哚-10-羧酰胺及其作为5-HT4受体拮抗剂的用途，例如用于治疗或预防胃肠道疾病、心血管疾病和中枢神经系统疾病。

  公开号：

  US20040176370A1

文献信息

• FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF
  申请人：SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD

  公开号：US20220389029A1

  公开（公告）日：2022-12-08

  Disclosed in the present invention are a fused pyridone compound, and a preparation method therefor and a use thereof. Specifically, the present invention discloses a compound of formula (I-B), an optical isomer thereof and a pharmaceutically acceptable salt thereof, and the use of the compound as a KRAS inhibitor.

  本发明公开了一种融合吡啶酮化合物及其制备方法和用途。具体地，本发明公开了一种I-B式化合物，其光学异构体和药学上可接受的盐，并将该化合物用作KRAS抑制剂。
• [EN] NRF2 ACTIVATOR<br/>[FR] ACTIVATEUR DE NRF2
  申请人：BIOGEN MA INC

  公开号：WO2018140738A8

  公开（公告）日：2019-08-15
• Efficient Generation of a Trisporoid Library by Combination of Synthesis and Biotransformation
  作者：Doreen Schachtschabel、Wilhelm Boland

  DOI：10.1021/jo062236c

  日期：2007.2.1

  [GRAPHIC]Trisporic acids and their biosynthetic precursors represent a family of powerful fungal pheromones and morphogenetic factors. A highly flexible synthetic protocol is described that (i) provides rapid access to nonfunctionalized early trisporoids from beta-ionone, (ii) includes a regiospecific oxidative functionalization of beta-ionone leading to 1-acetoxy-beta-ionone giving access to functionalized trisporoids, and (iii) utilizes a biotransformation of early synthetic trisporoids by growing cells of Blakeslea trispora to prepare late trisporoids including trisporic acids. The same protocol also provides deuterium-labeled trisporoids such as trisporin B [H-2(3)]-19. Administration of [H-2(3)]-19 to growing cells of the (-)-mating type of B. trispora resulted in the formation of the labeled trisporols [H-2(3)]-20 and [H-2(3)]-21. Growing cultures containing both mating types can be used to prepare trisporic acids from early precursors.
• Intramolecular Oxyallyl–Carbonyl (3 + 2) Cycloadditions
  作者：Elizabeth H. Krenske、Shuzhong He、Jian Huang、Yunfei Du、K. N. Houk、Richard P. Hsung

  DOI：10.1021/ja312459b

  日期：2013.4.10

  Cycloadditions involving oxyallyl intermediates typically require an electron-rich diene or alkene, but we have discovered the first examples of the cycloaddition of heteroatom-stabilized oxyallyls onto carbonyl groups. An oxazolidinone-substituted oxyallyl undergoes chemoselective (3 + 2) cycloaddition onto the carbonyl group of a tethered dienone in preference to formation of the expected (4 + 3) cycloadduct. Density functional theory calculations indicated that the (3 + 2) cycloaddition takes place through a concerted, highly asynchronous mechanism. The transition state features simultaneous interactions of the oxyallyl LUMO with the carbonyl pi and lone-pair orbitals, making this reaction "hemipseudopericyclic" (halfway between purely pericyclic and purely pseudopericyclic). Further (3 + 2) cycloadditions involving tethered phenyl ketones and a tethered enone were predicted theoretically and verified experimentally.
• Regiospecific alkylation of β-ketothioesters and use in the synthesis of acyl-tetronic acids
  作者：Paul M. Booth、Christina M.J. Fox、Steven V. Ley

  DOI：10.1016/s0040-4039(00)94065-6

  日期：1983.1