1-bromo-3,5-bis(methoxymethyl)benzene | 137334-69-1

• 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: 1-bromo-3,5-bis(methoxymethyl)benzene
• CAS: 137334-69-1
• 化学式: C₁₀H₁₃BrO₂
• 分子量: 245.116
• InChiKey: BMXJQQHQFAZAJN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-bromo-3,5-bis(methoxymethyl)benzene 在 三乙基硅烷 、 正丁基锂 、 三氯化硼 、 potassium carbonate 、 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基乙酰胺 为溶剂， 反应 14.37h， 生成 1,13,14,21,22,34-hexahydro-30,36,48-trimethoxy-13,21,44-tris<(4-methylphenyl)sulfonyl>-6H,12H,20H,28H-2,5-etheno-9,25-<(methanimino)methano>3,32:17,37-dimethano-7,11:15,19:23,27:29,33-tetrametheno-13,21-benzodiazacyclohexatriacontine racemate
  参考文献：
  名称：

  Host-guest complexation. 60. Rigidly hollow hosts that encapsulate small molecules

  摘要：

  New chiral host systems 1 and 2 possessing C3 symmetry have been designed and synthesized. Molecular models of 1 and 2 indicate they contain small enforced cavities and three portals complementary to small molecules. The crystal structure of 1.2CH3CN shows one molecule of CH3CN is encapsulated and the second exists as a solvate. A crystal structure of 2.2CH3OH shows one CH3OH molecule is encapsulated and a second serves as a solvate. A crystal structure of 2.CH2Cl2 shows the host to be empty and that the CH2Cl2 acts as a solvate to provide (by disorder) a C3 pattern about the C3 axis of the host. In CDCl3 solutions (CDCl3 is too large to occupy its cavity), 1 complexed O2, N2, H2O, and CO2 readily and reversibly (H-1 NMR spectra), particularly at low temperatures. In CDCl3 solution, 1 binds CH3OH with K(a) = 10 M-1, DELTA-G-degrees 295 = -1.4 kcal mol-1, DELTA-H congruent-to -6.6 kcal mol-1, and DELTA-S congruent-to -18 cal mol-1 K-1. It also binds CH3CN, but much more weakly. Triamine 2 in CDCl3 binds O2, N2, and H2O weakly and CH3OH with a K(a) = 47 M-1, DELTA-G-degrees 295 = -2.3 kcal mol-1, DELTA-H congruent-to -8.5 kcal mol-1, and DELTA-S congruent-to -21 cal mol-1 K-1. This host binds CH3CN at 295 K with a K(a) in the range of 1-10 M-1, and CH3CH2OH with a K(a) < 5 M-1. The H-1 NMR signals of the guest's CH2 group of 2.CH3CH2OH indicate the protons to be diastereotopic. The half-life for decomplexation of 2.CH3CH2OH was about 40 min at 25-degrees-C.

  DOI：

  10.1021/jo00027a011
• 作为产物：
  描述：

  5-溴-1,3-二羟基甲苯 、 碘甲烷 以 四氢呋喃 、 水 、 乙酸乙酯 为溶剂， 以92%的产率得到1-bromo-3,5-bis(methoxymethyl)benzene
  参考文献：
  名称：

  Cis-imidazolines

  摘要：

  本发明提供了根据式I和式II以及其药用可接受的盐和酯的化合物，具有此处提供的标记，并抑制MDM2蛋白与类p53肽的相互作用并具有抗增殖活性。

  公开号：

  US06617346B1

文献信息

• 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists
  申请人：Schering Corporation

  公开号：US20040220194A1

  公开（公告）日：2004-11-04

  Compounds having the structural formula I 1 or a pharmaceutically acceptable salt thereof, wherein R is 2 R 1 , R 2 , R 3 , R 4 and R 5 are H, alkyl or alkoxyalkyl; R 6 is H, alkyl, hydroxyalkyl or —CH 2 F; R 7 , R 8 and R 9 are H, alkyl, alkoxy, alkylthio, alkoxyalkyl, halo or —CF 3 ; and Z is optionally substituted aryl, heteroaryl or heteroaryl-alkyl are disclosed. Also disclosed is the use of compounds of formula I in the treatment of central nervous system diseases, in particular Parkinson's disease, alone or in combination with other agents for treating Parkinson's disease, and pharmaceutical compositions comprising them.

  具有结构式I或其药用可接受盐的化合物，其中R是R1，R2，R3，R4和R5为H，烷基或烷氧基烷基；R6为H，烷基，羟基烷基或—CH2F；R7，R8和R9为H，烷基，烷氧基，烷硫基，烷氧基烷基，卤素或—CF3；以及Z是可选择地取代的芳基，杂环芳基或杂环芳基烷基。还公开了化合物I的应用于治疗中枢神经系统疾病，特别是帕金森病，单独或与其他治疗帕金森病的药剂联合使用，以及包含它们的药物组合物。
• Cis-imidazolines
  申请人：Hoffmann-La Roche Inc.

  公开号：US06617346B1

  公开（公告）日：2003-09-09

  The present invention provides compounds according to formula I and formula II and pharmaceutically acceptable salts and esters thereof, having the designations provided herein and which inhibit the interaction of MDM2 protein with a p53-like peptide and have antiproliferative activity

  本发明提供了根据式I和式II以及其药用可接受的盐和酯的化合物，具有此处提供的标记，并抑制MDM2蛋白与类p53肽的相互作用并具有抗增殖活性。
• [EN] CIS-IMIDAZOLINES AS MDM2 INHIBITORS<br/>[FR] CIS-IMIDAZOLINES INHIBITEURS DE MDM2
  申请人：HOFFMANN LA ROCHE

  公开号：WO2003051360A1

  公开（公告）日：2003-06-26

  The present invention provides compounds according to formula I and formula II and pharmaceutically acceptable salts and esters thereof, having the designations provided herein and which inhibit the interaction of MDM2 protein with a p53-like peptide and have antiproliferative activity (I) (II).

  本发明提供了公式I和公式II的化合物及其药学上可接受的盐和酯，具有本文所提供的命名，并抑制MDM2蛋白与类p53肽的相互作用，并具有抗增殖活性。 (I)(II)。
• Novel multi-branched polymer
  申请人：Aoyagi Koichiro

  公开号：US20070142504A1

  公开（公告）日：2007-06-21

  The aim of the present invention is to provide a multi-branched polymer, in which branch terminals can be easily modified and which have a high degree of branching and narrow dispersion. By polymerizing a compound having 2 or more polymerization-initiation sites and polymerizable unsaturated bonds with a living radical polymerization method using a metal catalyst, it is possible to produce a multi-branched polymer with narrow dispersion and a high degree of branching and having repeating units represented by the formula (I): wherein R 1 to R 3 each independently represents hydrogen or a hydrocarbon group, R 1 may be bonded to R 3 to form a ring; X represents a connecting group having a valence of 3 or higher; Y may be the same or different and each represents a functional group which may have a halogen atom at a terminal thereof; and a is an integer of 2 or larger.

  本发明的目的是提供一种多支化聚合物，其中支链末端可以容易地修改，并具有高度分支和窄分散度。通过使用金属催化剂的活性自由基聚合方法聚合具有2个或更多聚合引发位点和可聚合不饱和键的化合物，可以产生具有窄分散度和高度分支的多支化聚合物，并具有由式（I）表示的重复单元：其中R1至R3各自独立表示氢或碳氢基团，R1可以与R3连接形成环；X表示具有3或更高价的连接基团；Y可以相同或不同，每个表示具有末端可能有卤素原子的功能基团；a是2或更大的整数。
• Multi-branched polymer
  申请人：Nippon Soda Co., Ltd.

  公开号：US07732549B2

  公开（公告）日：2010-06-08

  The aim of the present invention is to provide a multi-branched polymer, in which branch terminals can be easily modified and which have a high degree of branching and narrow dispersion. By polymerizing a compound having 2 or more polymerization-initiation sites and polymerizable unsaturated bonds with a living radical polymerization method using a metal catalyst, it is possible to produce a multi-branched polymer with narrow dispersion and a high degree of branching and having repeating units represented by the formula (I): wherein R1 to R3 each independently represents hydrogen or a hydrocarbon group, R1 may be bonded to R3 to form a ring; X represents a connecting group having a valence of 3 or higher; Y may be the same or different and each represents a functional group which may have a halogen atom at a terminal thereof; and a is an integer of 2 or larger.

  本发明的目的是提供一种多支化聚合物，其中支链端可以轻松地改变，并且具有高度分支和狭窄的分散性。通过使用金属催化剂的活性自由基聚合方法聚合具有2个或更多聚合引发位点和可聚合不饱和键的化合物，可以生产具有狭窄分散和高度分支的多支化聚合物，其中具有由式(I)表示的重复单元：其中R1至R3各自独立地表示氢或烃基，R1可以与R3结合形成环；X表示具有3或更高价的连接基团；Y可以相同或不同，每个表示具有在其末端可能有卤素原子的功能基团；a是大于等于2的整数。