tert-butyl(dimethyl)(3-nitropropoxy)silane | 107833-78-3

• 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: tert-butyl(dimethyl)(3-nitropropoxy)silane
• 英文别名: tert-Butyldimethyl(3-nitropropoxy)silane；tert-butyl-dimethyl-(3-nitropropoxy)silane
• CAS: 107833-78-3
• 化学式: C₉H₂₁NO₃Si
• 分子量: 219.356
• InChiKey: SSOPRAUEQPLFKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.68
• 重原子数：
  14
• 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：
  55
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl(dimethyl)(3-nitropropoxy)silane 在 氢氧化钾 、 ammonium cerium(IV) nitrate 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 0.25h， 生成 (E)-5-((tert-butyldimethylsilyl)oxy)-1-phenylpent-2-en-1-one
  参考文献：
  名称：

  1-硝基烷基自由基的氧化生成及其与烯烃的加成反应

  摘要：

  1-硝基烷基自由基是由 1-aci-硝基烷烃的钾盐与六硝酸酯 (IV) 铵氧化生成的。当在富电子烯烃（如甲硅烷基烯醇醚）存在下进行氧化时，自由基与烯烃的分子间加成得到 β-硝基酮，其进一步转化为 α,β-不饱和酮。屈服。稠环系统的立体选择性构建是通过 1-硝基烷基的分子内加成实现的。

  DOI：

  10.1246/bcsj.70.2525
• 作为产物：
  描述：

  1-碘-3-[(叔-丁基二甲基硅烷基)氧基]丙烷 在 silver(I) nitrite 作用下， 以 乙醚 为溶剂， 反应 48.0h， 生成 tert-butyl(dimethyl)(3-nitropropoxy)silane
  参考文献：
  名称：

  Discovery of Isoxazole Analogues of Sazetidine-A as Selective α4β2-Nicotinic Acetylcholine Receptor Partial Agonists for the Treatment of Depression

  摘要：

  Depression, a common neurological condition, is one of the leading causes of disability and suicide worldwide. Standard treatment, targeting monoamine transporters selective for the neurotransmitters serotonin and noradrenaline, is not able to help many patients that are poor responders. This study advances the development of sazetidine-A analogues that interact with alpha 4 beta 2 nicotinic acetylcholine receptors (nAChRs) as partial agonists and that possess favorable antidepressant profiles. The resulting compounds that are highly selective for the alpha 4 beta 2 subtype of nAChR over alpha 3 beta 4-nAChRs are partial agonists at the alpha 4 beta 2 subtype and have excellent antidepressant behavioral profiles as measured by the mouse forced swim test. Preliminary absorption, distribution, metabolism, excretion, and toxicity (ADMET) studies for one promising ligand revealed an excellent plasma protein binding (PPB) profile, low CYP450-related metabolism, and low cardiovascular toxicity, suggesting it is a promising lead as well as a drug candidate to be advanced through the drug discovery pipeline.

  DOI：

  10.1021/jm200855b

文献信息

• NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF
  申请人：FUJIFILM Corporation

  公开号：US20150045339A1

  公开（公告）日：2015-02-12

  The object is to provide an Fms-like tyrosine kinase 3 (FLT3) inhibitor useful as a therapeutic agent for acute myeloid leukemia (AML). A novel nitrogen-containing heterocyclic compound represented by the general formula [1] or a salt thereof is provided. The compound or a salt thereof of the present invention can be used as an active ingredient of a pharmaceutical composition for a treatment of a disease or condition relating to FLT3, such as acute myeloid leukemia (AML) and acute promyelocytic leukemia (APL).

  该目的是提供一种类似于Fms酪氨酸激酶3（FLT3）的抑制剂，可用作急性髓系白血病（AML）的治疗药物。提供了一种由通式[1]表示的新型含氮杂环化合物或其盐。本发明的该化合物或其盐可用作与FLT3相关的疾病或病况的药物组合物的活性成分，如急性髓系白血病（AML）和急性早幼粒细胞白血病（APL）的治疗。
• Hydrogen-Bond-Assisted Sequential Reaction of Silyl Glyoxylates: Stereoselective Synthesis of Silyl Enol Ethers
  作者：Chen Zhu、Man-Yi Han、Xiu-Xia Liang、Bin Guan、Pinhua Li、Lei Wang

  DOI：10.1021/acs.orglett.0c03683

  日期：2021.1.1

  A novel hydrogen-bond-assisted sequential reaction of silyl glyoxylates is described. This method provides an efficient strategy for the synthesis of silyl enol ethers with high selectivity. In these transformations, hydrogen bonds from 2-nitroethanol and its derivatives are critical to the stereochemical outcome. Both E- and Z-isomers are achieved via Henry reaction/Brook rearrangement/elimination

  描述了一种新型的氢键辅助的乙醛酸甲硅烷基酯的顺序反应。该方法为合成高选择性的甲硅烷基烯醇醚提供了有效的策略。在这些转化中，2-硝基乙醇及其衍生物的氢键对于立体化学结果至关重要。既ë -和ž 1： -异构体通过Henry反应/重排布鲁克/消除和亨利反应/重排布鲁克/复古亨利反应/消除过程，分别为（最多99实现Ž -选择性，和9.2：1 È -选择性）。
• TRICYCLIC GUANIDINE DERIVATIVE
  申请人：Sunovion Pharmaceuticals Inc.

  公开号：US20160083400A1

  公开（公告）日：2016-03-24

  Disclosed are compounds useful as inhibitors of Phosphodiesterase 1 (PDE1), compositions thereof, and methods of using the same.

  揭示了作为磷酸二酯酶1（PDE1）抑制剂有用的化合物，以及它们的组合物和使用方法。
• Nitrogen-containing heterocyclic compound or salt thereof
  申请人：FUJIFILM Corporation

  公开号：US09145415B2

  公开（公告）日：2015-09-29

  The object is to provide an Fms-like tyrosine kinase 3 (FLT3) inhibitor useful as a therapeutic agent for acute myeloid leukemia (AML). A novel nitrogen-containing heterocyclic compound represented by the general formula [1] or a salt thereof is provided. The compound or a salt thereof of the present invention can be used as an active ingredient of a pharmaceutical composition for a treatment of a disease or condition relating to FLT3, such as acute myeloid leukemia (AML) and acute promyelocytic leukemia (APL).

  本发明旨在提供一种类似于Fms酪氨酸激酶3（FLT3）的抑制剂，作为急性髓性白血病（AML）的治疗剂使用。提供了一种新的含氮杂环化合物，其由通式[1]表示，或其盐。本发明的化合物或其盐可用作药物组成物的活性成分，用于治疗与FLT3相关的疾病或病况，如急性髓性白血病（AML）和急性早幼粒细胞白血病（APL）。
• Oehrlein, Reinhold; Schwab, Wilfried; Ehrler, Rudolf, Synthesis, 1986, # 7, p. 535 - 538
  作者：Oehrlein, Reinhold、Schwab, Wilfried、Ehrler, Rudolf、Jaeger, Volker

  DOI：——

  日期：——