3-(((tert-butyldimethylsilyl)oxy)methyl)aniline | 159217-95-5

• 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-(((tert-butyldimethylsilyl)oxy)methyl)aniline
• 英文别名: 3-(Tert-butyldimethylsilyloxymethyl)aniline；3-[[tert-butyl(dimethyl)silyl]oxymethyl]aniline
• CAS: 159217-95-5
• 化学式: C₁₃H₂₃NOSi
• 分子量: 237.417
• InChiKey: VLODOLKTCMEMIT-UHFFFAOYSA-N

物化性质

• 沸点：
  307.8±17.0 °C(Predicted)
• 密度：
  0.952±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.79
• 重原子数：
  16
• 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：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(((tert-butyldimethylsilyl)oxy)methyl)aniline 在 吡啶 、 氨 、 水 、 三溴化磷 、 溶剂黄146 、 三乙胺 、 N,N-二异丙基乙胺 、 肼 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 甲苯 为溶剂， 反应 98.0h， 生成 2-[4-Amino-6-(3,3-dimethyl-butylamino)-[1,3,5]triazin-2-ylamino]-5-bromo-N-(3-bromomethyl-phenyl)-N-(4-tert-butyl-benzyl)-benzamide
  参考文献：
  名称：

  Synthesis and Evaluation of Thioether-Based Tris-Melamines as Components of Self-Assembled Aggregates Based on the CA·M Lattice

  摘要：

  Two new tris-melamine derivatives, triazine-thio-M(3) (5) (C3N3-2,4,6-[SCH2C6H4-3-N(CH2C6H4-4C(CH3)(3))COC6N3-2- NHC3N3(NH2)(NHCH2CH2CH3)(3)-5-Br](3)) and benzene-thio-M(3) (6) (C6H3-1,3,5-[SCH2C6H4-3-N(CH2C6H4-4-C(CH3)(3))COC6H3-2-NH2)(NHCH2CH2C(CH3)(3))-5-Br](3)), were synthesized by reactions of 2,4,6-trithiocyanuric acid and 1,3,5-trimercaptobenzene with a bromobenzyl melamine derivative 19 (BrCH2C6H4-3-N(CH2C6H4-4-C(CH3)(3))COC6H3-2NHC(3)N(3)(NH2)(NHCH2CH2C(CH3)(3))-5-Br). These two compounds formed stable and structurally well-defined 1 + 3 supramolecular aggregates with neohexyl isocyanurate (R'CA) (9) as shown by NMR spectroscopy and gel permeation chromatography. H-1 NMR competition experiments indicated that the stability of triazine-thio-M(3) .(R'CA)(3) (1) was similar to that of benzene-thio-M(3) .(R'CA)(3) (2). The order of stabilities of tris-melamine-based 1 + 3 complexes was hubM(3) .(R'CA)(3) (3) > triazine-thio-M(3) .(R'CA)(3) (1) similar to benzene-thio-M(3) .(R'CA)(3) (2) > flexM(3) .(R'CA)(3) (4). Computational simulations were also carried out on triazine-thio-M(3) .(R'CA)(3) and hubM(3) .(R'CA)(3) fully solvated in CHCl3. Values of DP (the deviation from planarity of the cyanuric acid and melamine rosette) obtained from these simulations correlated correctly with the observed stabilities and suggested a structural reason why triazinethio-M(3) .(R'CA)(3) was less stable than hubM(3) .(R'CA)(3).

  DOI：

  10.1021/jo951098g
• 作为产物：
  描述：

  3-硝基苯甲醇 在 palladium on activated charcoal 咪唑 、 氢气 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 3.0h， 生成 3-(((tert-butyldimethylsilyl)oxy)methyl)aniline
  参考文献：
  名称：

  WO2006/111516

  摘要：

  公开号：

文献信息

• [EN] MACROCYLIC PYRIMIDINE DERIVATIVES<br/>[FR] DÉRIVÉS DE PYRIMIDINE MACROCYCLIQUES
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2015150555A1

  公开（公告）日：2015-10-08

  The present invention relates to substituted macrocylic pyrimidine derivatives of Formula (I) wherein the variables have the meaning defined in the claims. The compounds according to the present invention have EF2K inhibitory activity and optionally also Vps34 inhibitory activity. The invention further relates to processes for preparing such novel compounds, pharmaceutical compositions comprising said compounds as an active ingredient as well as the use of said compounds as a medicament.

  本发明涉及式(I)的取代大环嘧啶衍生物，其中变量具有如权利要求中所定义的含义。根据本发明的化合物具有EF2K抑制活性，并且可选地也具有Vps34抑制活性。本发明还涉及制备这些新颖化合物的方法，包括将所述化合物作为活性成分的药物组合物以及将所述化合物用作药物的使用。
• [EN] FUSED PYRIMIDINE PYRIDINONE COMPOUNDS AS JAK INHIBITORS<br/>[FR] COMPOSÉS DE PYRIMIDINE PYRIDINONE FUSIONNÉS EN TANT QU'INHIBITEURS DE JAK
  申请人：THERAVANCE BIOPHARMA R&D IP LLC

  公开号：WO2021108803A1

  公开（公告）日：2021-06-03

  The disclosure provides compounds of formula (I), or a pharmaceutically-acceptable salt thereof, wherein the variables are defined in the specification, that are inhibitors of JAK kinases, particularly JAK3. The disclosure also provides pharmaceutical compositions comprising such compounds, and methods of using such compounds to treat gastrointestinal inflammatory diseases.

  本公开提供了公式(I)的化合物，或其药用可接受的盐，其中变量如说明书中所定义，这些化合物是JAK激酶的抑制剂，特别是JAK3。本公开还提供了包含这些化合物的药物组合物，以及使用这些化合物治疗胃肠道炎症性疾病的方法。
• Organophosphorus-mediated N–N bond formation: facile access to 3-amino-2H-indazoles
  作者：Hassen Bel Abed、Jens Schoene、Mathias Christmann、Marc Nazaré

  DOI：10.1039/c6ob01544a

  日期：——

  An efficient strategy to access 3-amino-2H-indazoles starting from readily available 2-nitrobenzonitriles has been developed.

  一种从易得的2-硝基苯腈出发制备3-氨基-2H-吲唑的高效策略已被开发。
• [EN] DIACYLGLYCEROL KINASE MODULATING COMPOUNDS<br/>[FR] COMPOSÉS MODULANT LA DIACYLGLYCÉROL KINASE
  申请人：CARNA BIOSCIENCES INC

  公开号：WO2021130638A1

  公开（公告）日：2021-07-01

  The present disclosure provides diacylglycerol kinase modulating compounds, and pharmaceutical compositions thereof, for treating cancer, including solid tumors, and viral infections, such as HIV or hepatitis B virus infection. The compounds can be used alone or in combination with other agents.

  本公开提供了调节二酰基甘油激酶的化合物以及用于治疗癌症（包括实体瘤）和病毒感染（如HIV或乙型肝炎病毒感染）的药物组合物。这些化合物可以单独使用或与其他药物联合使用。
• Design, Synthesis, and Structure−Activity Relationship of Indole-3-glyoxylamide Libraries Possessing Highly Potent Activity in a Cell Line Model of Prion Disease
  作者：Mark J. Thompson、Vinciane Borsenberger、Jennifer C. Louth、Katie E. Judd、Beining Chen

  DOI：10.1021/jm900920x

  日期：2009.12.10

  curative therapy currently exists. We report here the synthesis of a library of indole-3-glyoxylamides and their evaluation as potential antiprion agents. A number of compounds demonstrated submicromolar activity in a cell line model of prion disease together with a defined structure−activity relationship, permitting the design of more potent compounds that effected clearance of scrapie in the low nanomolar

  传染性海绵状脑病（TSE）是一类致命的神经退行性疾病，目前尚无有效的治疗方法。我们在这里报告了吲哚-3-乙二酰胺的文库的合成及其作为潜在的抗evaluation剂的评估。许多化合物在pr病毒疾病的细胞系模型中表现出亚微摩尔活性，并具有确定的结构-活性关系，从而可以设计出更有效的化合物，从而在低纳摩尔范围内实现对瘙痒病的清除。因此，本文所述的吲哚-3-乙氧基乙酰胺构成了理想的候选物，以进一步发展成为人类病毒病家族的潜在治疗剂。