(2‐isopropylphenyl)magnesium bromide | 63488-08-4

• 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‐isopropylphenyl)magnesium bromide
• 英文别名: (2-isopropylphenyl)magnesium bromide；2-isopropylphenylmagnesium bromide；o-isopropylphenylmagnesium bromide；bromo(2-(1-methylethyl)phenyl)magnesium；2-(isopropyl)phenyl magnesium bromide
• CAS: 63488-08-4
• 化学式: C₉H₁₁BrMg
• 分子量: 223.395
• InChiKey: STEYSWFFQRBEMS-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.45
• 重原子数：
  11.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  (2‐isopropylphenyl)magnesium bromide 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 生成 (2-Isopropyl-phenyl)-cyclohexan
  参考文献：
  名称：

  79.芳核的烷基化。第十部分单烷基苯的环己基化和热烷基化的过程

  摘要：

  DOI：

  10.1039/jr9630000518
• 作为产物：
  描述：

  1-溴-2-异丙基苯 在 碘 、 magnesium 作用下， 以 四氢呋喃 为溶剂， 生成 (2‐isopropylphenyl)magnesium bromide
  参考文献：
  名称：

  [EN] COMPOUNDS AS BCL-2 INHIBITORS
  [FR] COMPOSÉS UTILISÉS EN TANT QU'INHIBITEURS DE BCL-2

  摘要：

  Provided are certain BCL-2 inhibitors, pharmaceutical compositions thereof, and methods of use thereof.

  公开号：

  WO2023088167A1

文献信息

• [EN] METAL COMPLEX COMPRISING AMIDINE AND THIOPHENE FUSED CYCLOPENTADIENYL LIGANDS<br/>[FR] COMPLEXE MÉTALLIQUE COMPRENANT DES LIGANDS DE CYCLOPENTADIÉNYLE FUSIONNÉS PAR AMIDINE ET THIOPHÈNE
  申请人：ARLANXEO NETHERLANDS BV

  公开号：WO2019132687A1

  公开（公告）日：2019-07-04

  A metal complex of the formula (1) TCyLMXp (1), wherein M is a group 4 metal Z is an anionic ligand, p is number of 1 to 2, preferably 2, TCy is a thiophene fused cyclopentadienyl-type ligand of the formula (2) wherein R1 and R2 being individually selected from the group of hydrogen, halogen, C1-C10 alkyl, C5-C10 cycloalkyl, and an unsubstituted or C1-C10-alkyl or C1-C4-dialkyl amino substituted С6-С10 aryl, in particular C1-C4-alkyl substituted phenyl and SiR3, OR, NR2, SR, PR2, wherein R means individually C1-C10-alkyl, C5-С10-cycloalkyl, and an unsubstituted or C1-C10-alkyl or C1-C4-dialkyl amino substituted C6-C10-aryl, in particular C1-C4-alkyl substituted phenyl or R1 and R2 together with the 2 double bond carbon atoms of the thiophene ring they are connected to form an unsubstituted or C1-C4-alkyl substituted aliphatic C5-C6-cycloalkene ring, R3, R4 and R5 being individually selected from the group of hydrogen, C1-C4 alkyl, unsubstituted or C1-C4-alkyl and/or halogen, in particular chlorine or fluorine substituted C6-C10-aryl, in particular C1-C4-alkyl substituted phenyl, and SiR3, OR, NR2, SR, PR2, wherein R means individually C1-C10-alkyl, C5-C10-cycloalkyl, and an unsubstituted or C1-C10-alkyl or C1-C4-dialkyl amino substituted C6-C10-aryl, in particular C1-C4-alkyl substituted phenyl and, L is an amidinate ligand of the formula (3) wherein the amidine-containing ligand is covalently bonded to the metal M via the imine nitrogen atom, and Sub1 is an unsubstituted or C1-C4-alkyl and/or halogen, in particular chlorine or fluorine substituted C6-C10-aromatic substituent, in particular phenyl and Sub2 is a substituent comprising a heteroatom of group 15, through which Sub2 is bonded to the imine carbon atom or Sub1 and Sub2 together with the imino group they are connected to form a ligand of formula (3a) wherein the amidine-containing ligand (3a) is covalently bonded to the metal M via the imine nitrogen atom N2, wherein the benzo ring fused to the amidine ring may be unsubstituted or contain further substituents R7, which are individually of the index "q" selected from the group of hydrogen, C1-C4-alkyl and halogen and whereby q is a number of 0 to 4, preferably 0 to 2, most preferably 0, Sub4 is an aliphatic or aromatic cyclic or linear substituent comprising a group 14 atom through which Sub4 is bonded to the amino nitrogen atom N1, preferably Sub4 is a C6-C10 aromatic ring, preferably phenyl which is unsubstituted or substituted by one or more substituents from the group selected from halogen, in particular Cl or F and C1-C4-alkyl.

  一种化学配合物，其化学式为（1）TCyLMXp（1），其中M为4族金属，Z为阴离子配体，p为1至2的数字，最好为2，TCy为一种噻吩融合的环戊二烯基型配体，其化学式为（2），其中R1和R2分别选自氢、卤素、C1-C10烷基、C5-C10环烷基、未取代或C1-C10烷基或C1-C4二烷基氨基取代的C6-C10芳基，特别是C1-C4烷基取代的苯基和SiR3、OR、NR2、SR、PR2，其中R分别表示C1-C10烷基、C5-C10环烷基、未取代或C1-C10烷基或C1-C4二烷基氨基取代的C6-C10芳基，特别是C1-C4烷基取代的苯基或R1和R2与噻吩环的2个双键碳原子连接在一起形成未取代或C1-C4烷基取代的脂肪族C5-C6环烯基环，R3、R4和R5分别选自氢、C1-C4烷基、未取代或C1-C4烷基和/或卤素，特别是氯或氟取代的C6-C10芳基，特别是C1-C4烷基取代的苯基和SiR3、OR、NR2、SR、PR2，其中R分别表示C1-C10烷基、C5-C10环烷基、未取代或C1-C10烷基或C1-C4二烷基氨基取代的C6-C10芳基，特别是C1-C4烷基取代的苯基，L为一种含有酰胺基的配体，其化学式为（3），其中含有酰胺基的配体通过亚胺氮原子与金属M共价结合，Sub1为未取代或C1-C4烷基和/或卤素，特别是氯或氟取代的C6-C10芳基取代基，特别是苯基，Sub2为含有15族元素的取代基，通过该取代基与亚胺碳原子结合或Sub1和Sub2与亚胺基一起形成化学式（3a）的配体，其中含有酰胺基的配体（3a）通过亚胺氮原子N2与金属M共价结合，苯环与酰胺环融合的部分可能未取代或含有进一步的取代基R7，该取代基R7分别为指数“q”选自氢、C1-C4烷基和卤素，其中q为0至4的数字，最好为0至2，最好为0，Sub4为含有14族元素的脂肪族或芳香族环状或线性取代基，通过该取代基与氨基氮原子N1结合，最好Sub4为C6-C10芳香环，最好为苯基，未取代或由卤素（特别是Cl或F）和C1-C4烷基等取代基取代。
• Multicomponent Coupling Reaction of Perfluoroarenes with 1,3-Butadiene and Aryl Grignard Reagents Promoted by an Anionic Ni(II) Complex
  作者：Takanori Iwasaki、Asuka Fukuoka、Xin Min、Wataru Yokoyama、Hitoshi Kuniyasu、Nobuaki Kambe

  DOI：10.1021/acs.orglett.6b02343

  日期：2016.10.7

  anionic complex as a key intermediate, a regio- and stereoselective multicomponent coupling reaction of perfluoroarenes, aryl Grignard reagents, and 1,3-butadiene in a 1:1:2 ratio was achieved, resulting in the formation of 1,6-octadiene derivatives containing two aryl groups, one from the perfluoroarene and the other from the aryl Grignard reagent, at the 3- and 8-positions, respectively.

  分离出阴离子Ni配合物，并通过X射线晶体学确定其结构。以这种阴离子配合物为关键中间体，全氟芳烃，芳基格氏试剂和1,3-丁二烯以1：1：2的比例进行了区域和立体选择性多组分偶联反应，从而形成了1,6 -辛二烯衍生物在3和8位分别含有两个芳基，一个来自全氟芳烃，另一个来自芳基格氏试剂。
• Use of ER selective NF-kB inhibitors for the treatment of sepsis
  申请人：Caggiano J. Thomas

  公开号：US20050256132A1

  公开（公告）日：2005-11-17

  The present invention provides methods for treating sepsis, systemic inflammatory response syndrome, severe sepsis, septic shock, and multiple organ dysfunction syndrome by modulating NF-κB transcription with ligands that interact with the estrogen receptor, preferably in the absence of classic estrogenic activity. Other aspects of the invention relate to methods for treating sepsis, systemic inflammatory response syndrome, severe sepsis, septic shock, and multiple organ dysfunction syndrome that comprise administering to a patient suffering therefrom an effective amount of a compound of Formula I:

  本发明提供了通过调节与雌激素受体相互作用的配体来调节NF-κB转录，从而治疗脓毒症、全身性炎症反应综合征、严重脓毒症、脓毒性休克和多器官功能障碍综合征的方法，优选在无典型雌激素活性的情况下进行。本发明的其他方面涉及治疗脓毒症、全身性炎症反应综合征、严重脓毒症、脓毒性休克和多器官功能障碍综合征的方法，包括向患有此类病症的患者施用有效量的式I化合物：
• [EN] BENZODIOXEPINE AND BENZODIOXINE COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES<br/>[FR] BENZODIOXÉPINE ET COMPOSÉS DE BENZODIOXINE QUI INTERAGISSENT AVEC LA PROTÉINE RÉGULATRICE DE LA GLUCOKINASE POUR LE TRAITEMENT DU DIABÈTE
  申请人：AMGEN INC

  公开号：WO2012138776A1

  公开（公告）日：2012-10-11

  The present invention relates to compounds of formula I or II, or pharmaceutically acceptable salts thereof, that interact with glucokinase regulatory protein. In addition, the present invention relates to methods of treating type 2 diabetes, and other diseases and/or conditions where glucokinase regulatory protein is involved using the compounds, or pharmaceutically acceptable salts thereof, and pharmaceutical compositions that contain the compounds, or pharmaceutically acceptable salts thereof.

  本发明涉及与葡萄糖激酶调节蛋白相互作用的式I或II的化合物，或其药学上可接受的盐。此外，本发明涉及使用这些化合物或其药学上可接受的盐治疗2型糖尿病和其他涉及葡萄糖激酶调节蛋白的疾病和/或症状的方法，以及含有这些化合物或其药学上可接受的盐的药物组合物。
• Pd/PC‐Phos‐Catalyzed Enantioselective Intermolecular Denitrogenative Cyclization of Benzotriazoles with Allenes and N‐Allenamides
  作者：Pei‐Chao Zhang、Jie Han、Junliang Zhang

  DOI：10.1002/anie.201904805

  日期：2019.8.12

  Reported herein is an asymmetric Pd/PC‐Phos‐catalyzed denitrogenative cyclization of benzotriazoles with allenes and N‐allenamides, representing the first example of enantioselective denitrogenative cyclizations of benzotriazoles. A series of optically active 3‐methyleneindolines were obtained in good yields with high ee values. The use of inexpensive and readily available starting materials, high

  本文报道的是苯并三唑与丙二烯和N-烯酰胺的不对称Pd / PC-Phos催化脱氮环化反应，代表了苯并三唑对映选择性脱氮环化反应的第一个例子。以高收率和高ee 值获得了一系列旋光的3-亚甲基二氢吲哚。使用廉价且容易获得的起始原料，高区域选择性和对映选择性，广泛的底物范围，温和的反应条件，无需碱以及3-亚甲基二氢吲哚的多功能官能化使得该方法具有吸引力。