(+/-)-2-(2,6-dichlorophenyl)-2-(trimethylsiloxy)-acetonitrile | 93554-97-3

• 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: (+/-)-2-(2,6-dichlorophenyl)-2-(trimethylsiloxy)-acetonitrile
• 英文别名: 2-(2,6-dichlorophenyl)-2-((trimethylsilyl)oxy)acetonitrile；2-(2,6-dichlorophenyl)-2-(trimethylsilyloxy)acetonitrile；(2,6-dichlorophenyl)-trimethylsilanyloxy-acetonitrile；2-(2,6-dichlorophenyl)-2-trimethylsilyloxyacetonitrile
• CAS: 93554-97-3
• 化学式: C₁₁H₁₃Cl₂NOSi
• 分子量: 274.222
• InChiKey: BHHITEJRKVUBFJ-UHFFFAOYSA-N

物化性质

• 沸点：
  304.8±42.0 °C(Predicted)
• 密度：
  1.182±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.41
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (+/-)-2-(2,6-dichlorophenyl)-2-(trimethylsiloxy)-acetonitrile 在 盐酸 、 N,N-二异丙基乙胺 、 间氯过氧苯甲酸 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 [3-(2,6-dichlorophenyl)-1,2-dimethyl-1,2-dihydropyrimido[4,5-c]pyridazin-7-yl](4-fluorophenyl)-amine
  参考文献：
  名称：

  The development of novel 1,2-dihydro-pyrimido[4,5-c]pyridazine based inhibitors of lymphocyte specific kinase (Lck)

  摘要：

  This communication details the synthesis, biological activity, and proposed binding mode of a novel class of tri-cyclic derivatives of 1,2-dihydro-pyrimido[4,5-c]pyridazines 1 and 2. The most potent analogs disclosed showed low nanomolar activity for the inhibition of Lck kinase. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.05.072
• 作为产物：
  描述：

  2,6-二氯苯甲醛 、 六甲基二硅氮烷 在 trichloro(trifluoromethanesulfonato)titanium(IV) 、 silica gel 作用下， 反应 0.5h， 以96%的产率得到(+/-)-2-(2,6-dichlorophenyl)-2-(trimethylsiloxy)-acetonitrile
  参考文献：
  名称：

  Highly efficient chemo- and regioselective silylation of –OH groups and cyanosilylation of aldehydes promoted by TiCl2(OTf)–SiO2 as a new recyclable catalyst

  摘要：

  TiCl2(OTf)-SiO2 as an easy handling recyclable catalyst was applied for trimethylsilylation of diethyl alpha-hydroxyphosphonates, alcohols and phenols with high selectivity using HMDS as a silylating agent. Cyanotrimethylsilyl ethers were also obtained in excellent yields from treatment of aldehydes with TMSCN in the presence of this catalyst. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.08.009

文献信息

• [EN] HAT INHIBITORS AND METHODS FOR THEIR USE<br/>[FR] INHIBITEURS DE HAT ET PROCÉDÉS POUR LEUR UTILISATION
  申请人：ABBVIE INC

  公开号：WO2016044777A1

  公开（公告）日：2016-03-24

  Compounds having a structure of Formula I or a stereoisomer, tautomer or pharmaceutically acceptable salt thereof, wherein R1, R2a, R2b, R3a, R3b, R3c, R4a, R4b, R5, R6, Z and X are as defined herein are provided. Pharmaceutical compositions comprising such compounds and methods for treating various HAT-related conditions or diseases, including cancer, by administration of such compounds are also provided.

  提供具有公式I结构或其立体异构体、互变异构体或药学上可接受的盐的化合物，其中R1、R2a、R2b、R3a、R3b、R3c、R4a、R4b、R5、R6、Z和X如本文所定义。还提供包含这些化合物的药物组合物以及通过给予这些化合物治疗各种HAT相关病症或疾病，包括癌症的方法。
• Preparation, Characterization and Catalytic Properties of Polyaniline-Supported Metal Complexes
  作者：Boyapati M. Choudary、Moumita Roy、Sarabindu Roy、M. Lakshmi Kantam、Bojja Sreedhar、Karasala Vijay Kumar

  DOI：10.1002/adsc.200606077

  日期：2006.8

  Polyaniline-supported Sc, In, Pd, Os and Re catalysts were prepared by using a simple protocol and the thus prepared catalysts were well characterized using FTIR, XPS, UV-Vis/DRS, TGA-DTA. All the catalysts were successfully employed in a wide range of organic transformations such as cyanation and allylation of carbonyl compound, Suzuki coupling of aryl halides and boronic acids, and, most importantly

  聚苯胺负载的Sc，In，Pd，Os和Re催化剂采用简单的操作流程制备，并使用FTIR，XPS，UV-Vis / DRS，TGA-DTA对如此制备的催化剂进行了很好的表征。所有催化剂均成功用于各种有机转化中，例如羰基化合物的氰化和烯丙基化，芳基卤化物和硼酸的Suzuki偶联，以及最重要的是，用于烯烃的不对称二羟基化以提供旋光的邻位二醇。通过简单的过滤将所有催化剂从反应混合物中分离出来，并以一致的活性重复使用五个循环，而没有明显的金属从载体中浸出。
• [EN] PYRAZOLE AMIDE DERIVATIVE<br/>[FR] DÉRIVÉ DE PYRAZOLE AMIDE
  申请人：TEIJIN PHARMA LTD

  公开号：WO2015129926A1

  公开（公告）日：2015-09-03

  The present invention relates to a novel compound having a function of inhibiting RORγ activity. The present invention also relates to pharmaceutical composition comprising the compound, a use of the compound in treating or preventing autoimmune diseases, inflammatory diseases, metabolic diseases, or cancer diseases.

  本发明涉及一种新型化合物，具有抑制RORγ活性的功能。本发明还涉及包括该化合物的药物组合物，以及在治疗或预防自身免疫疾病、炎症性疾病、代谢性疾病或癌症疾病中使用该化合物的用途。
• Towards a rational design for resolving agents. Part V: Substituent effects in the resolution of ephedrine using a series of cyclic phosphoric acids
  作者：Albertus D. van der Haest、Hans Wynberg、Frank J. J. Leusen、Alle Bruggink

  DOI：10.1002/recl.19931120305

  日期：——

  aromatic substituents in both ephedrine and a cyclic phosphoric acid on the quality of resolution via diastereomeric salt formation are investigated. The diastereo-selective synthesis of a novel series of chloro-substituted ephedrines is described. These chloroephedrines can be resolved efficiently with some of the cyclic phosphoric acids. By studying the physical properties of nineteen pairs of diastereomeric

  研究了麻黄碱和环状磷酸中各种芳族取代基对通过非对映异构体盐形成的拆分质量的影响。描述了一系列新的氯取代的麻黄碱的非对映选择性合成。这些氯麻黄碱可以用某些环状磷酸有效地拆分。通过研究十九对非对映异构体盐的物理性质，我们表明拆分的质量主要取决于环状磷酸的芳族取代基，而麻黄碱苯环上的取代基起次要作用。
• Enantioselective cyanosilylation of aldehydes catalyzed by a multistereogenic salen–Mn(<scp>iii</scp>) complex with a rotatable benzylic group as a helping hand
  作者：Yun-Long Wei、Wei-Sheng Huang、Yu-Ming Cui、Ke-Fang Yang、Zheng Xu、Li-Wen Xu

  DOI：10.1039/c4ra12884b

  日期：——

  A multistereogenic salen–Mn(iii) complex bearing an aromatic pocket and two benzylic groups as helping hands was found to be efficient in the catalysis of asymmetric cyanosilylation.

  一种具有芳香口袋和两个苄基辅助作用的多手性salen-Mn（III）配合物被发现在不对称氰基硅化反应中具有高效催化作用。