1-溴-2-异丁基苯 | 80304-54-7

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 芳香烃
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-溴-2-异丁基苯
• 英文名称: 1-bromo-2-isobutylbenzene
• 英文别名: 1-bromo-2-(2-methylpropyl)benzene
• CAS: 80304-54-7
• 化学式: C₁₀H₁₃Br
• 分子量: 213.117
• InChiKey: HJQLGKFRJIWWAT-UHFFFAOYSA-N

物化性质

• 熔点：
  -47.30 °C
• 沸点：
  233.0±9.0 °C(Predicted)
• 密度：
  1.2476 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1-溴-2-异丁基苯 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 四(三苯基膦)钯 、 potassium acetate 、 sodium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 18.58h， 生成 ethyl 2-(2-isobutylphenyl)-4-methyl-6-(2-methylbutyl)pyrimidine-5-carboxylate
  参考文献：
  名称：

  Exploiting the Biginelli reaction: nitrogen-rich pyrimidine-based tercyclic α-helix mimetics

  摘要：

  Several rationally designed pyrimidine-based scaffolds intended to mimic the spatial projection of the i, i+3, and i+7 residues of an alpha-helix and also possess improved aqueous solubility were prepared. A Biginelli-oxidation process was used to form the central pyrimidine ring of these scaffolds, which was subsequently manipulated to form pyrimidine-based tercyclic alpha-helix mimetics. A pyrimidine-based scaffold designed to mimic the alpha-helical BH3 domain of the pro-apoptotic Bak protein was also prepared as a putative inhibitor of the BcI-x(L)/Bak protein-protein interaction. The pyrimidine-based tercyclic alpha-helix mimetics, and the putative Bcl-x(L) inhibitor, were assessed using a luminescence competition assay, however, none displayed inhibitory activity against Bel-x(L) or Mcl-1. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2015.12.044
• 作为产物：
  描述：

  异丁基苯 在 potassium peroxomonosulfate 、 溴化铵 作用下， 以 水 为溶剂， 反应 2.0h， 以53%的产率得到1-溴-2-异丁基苯
  参考文献：
  名称：

  使用溴化铵和Oxone®溴化芳族化合物

  摘要：

  一个简单的，对于使用溴化铵作为溴和过硫酸氢钾的源活化的芳族化合物的选择性溴化高效和温和方法®如甲醇或水作为溶剂的氧化剂被报告。该反应在环境温度下在没有催化剂的情况下以从中等到优异的产率进行。 溴化-芳族化合物-溴化铵-过硫酸氢钾® -选择性

  DOI：

  10.1055/s-0029-1218723

文献信息

• [EN] LUMINESCENT DIAZABENZIMIDAZOLE CARBENE METAL COMPLEXES<br/>[FR] COMPLEXES DIAZABENZIMIDAZOLE CARBÈNE-MÉTAL LUMINESCENTS
  申请人：BASF SE

  公开号：WO2015014835A1

  公开（公告）日：2015-02-05

  The present invention relates to metal-carbene complexes of the general formula (I), where variable M is Ir or Pt and that are characterized by variable R being a group of formula (a). The complexes are used in organic electronic devices, especially OLEDs (Organic Light-Emitting Diodes), illuminating elements, stationary visual display units and in material layers as emitter, charge transport material and/or charge or exiton blocker.

  本发明涉及通式（I）的金属-卡宾配合物，其中变量M是Ir或Pt，并且其特征在于变量R是具有结构式（a）的基团。这些配合物用于有机电子设备，特别是OLED（有机发光二极管）、照明元件、固定视觉显示单元，以及作为发射体、载流子传输材料和/或载流子或激子阻挡层的材料层中。
• Two-photon absorbing compounds and methods of making same
  申请人：The United States of America, as represented by the Secretary of the Air Force

  公开号：US10113065B1

  公开（公告）日：2018-10-30

  A two-photon absorbing (TPA) compound is provided, along with a method of making same. The TPA compound has a general structural formula: where A is an acceptor moiety that is connected to m number of diarylaminofluorene arms (m=1-3); in each diarylaminofluorene arms, R is selected from linear or branched alkyl chains having a general formula CnH2n+1, where n is in a range from 2 to 25; where R1, R2, and R3 are independently selected from H or C1-C4 alkyls; where R4 is selected from C1-C5 alkyls; and wherein R5 through R10 are independently selected from H, alkoxyls, alkyls, or aryls. A may be benzothiazol-2-yl, benzo[1,2-d:4,5-d′]bisthiazole-2,6-diyl, thiazolo[5,4-d]thiazole-2,5-diyl-, 1,3,5-triazine-2,4,6-triyl, 1,3,5-triazine-2,4,6-triyl, benzo[1,2-d:3,4-d′:5,6-d″]tristhiazole-2,5,8-triyl-, or dithieno[3,2-b:2′,3′-d]thiophene-2,6-diyl-.

  提供了一种双光子吸收（TPA）化合物，以及制造该化合物的方法。TPA化合物具有一般的结构公式：其中A是一个受体基团，它与m个二芳基氨基荧烷臂（m = 1-3）相连；在每个二芳基氨基荧烷臂中，R选自具有一般公式CnH2n+1的直链或支链烷基链，其中n的范围从2到25；其中R1、R2和R3独立地选自H或C1-C4烷基；其中R4选自C1-C5烷基；R5至R10独立地选自H、烷氧基、烷基或芳基。A可以是苯并噻唑-2-基，苯并[1,2-d:4,5-d']二噻唑-2,6-二基，噻唑[5,4-d]噻唑-2,5-二基，1,3,5-三嗪-2,4,6-三基，1,3,5-三嗪-2,4,6-三基，苯并[1,2-d:3,4-d':5,6-d"]三噻唑-2,5,8-三基，或二噻吩[3,2-b:2',3'-d]噻吩-2,6-二基。
• [EN] INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF<br/>[FR] INHIBITEURS DE LA PROTÉINE TYROSINE PHOSPHATASE DE FAIBLE POIDS MOLÉCULAIRE (LMPTP) ET UTILISATIONS ASSOCIÉES
  申请人：SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INST

  公开号：WO2019136093A1

  公开（公告）日：2019-07-11

  Protein tyrosine phosphatases (PTPs) are key regulators of metabolism and insulin signaling. As a negative regulator of insulin signaling, the low molecular weight protein tyrosine phosphatase (LMPTP) is a target for insulin resistance and related conditions. Described herein are compounds capable of modulating the level of activity of LMPTP, compositions, and methods of using these compounds and compositions.

  蛋白酪氨酸磷酸酶（PTPs）是代谢和胰岛素信号传导的关键调节因子。作为胰岛素信号传导的负调节因子，低分子量蛋白酪氨酸磷酸酶（LMPTP）是胰岛素抵抗和相关疾病的靶点。本文描述了能够调节LMPTP活性水平的化合物、组合物以及使用这些化合物和组合物的方法。
• MODULATORS OF THE RELAXIN RECEPTOR 1
  申请人：The United States of America, as Represented by the Secretary, Dept. of Health & Human Services

  公开号：US20150119426A1

  公开（公告）日：2015-04-30

  Disclosed are modulators of the human relaxin receptor 1, for example, of formula (I), wherein A, R 1 , and R 2 are as defined herein, that are useful in treating mammalian relaxin receptor 1 mediated facets of human health, e.g., cardiovascular disease. Also disclosed is a composition comprising a pharmaceutically suitable carrier and at least one compound of the disclosure, and a method for therapeutic intervention in a facet of mammalian health that is mediated by a human relaxin receptor 1.

  本文揭示了人类松弛素受体1的调节剂，例如，公式（I）中的A、R1和R2如本文所定义，这些调节剂在治疗哺乳动物松弛素受体1介导的人类健康方面，例如心血管疾病中是有用的。还公开了一种包含药用适宜载体和本公开的至少一种化合物的组合物，以及一种用于治疗介导人类松弛素受体1的哺乳动物健康方面的干预方法。
• Catalytic halogenation of selected organic compounds mimicking vanadate-dependent marine metalloenzymes
  作者：Chimmanamada U. Dinesh、Rajiv Kumar、Bipin Pandey、Pradeep Kumar

  DOI：10.1039/c39950000611

  日期：——

  The ammonium metavanadate, mimicking vanadate-dependent metalloenzymes, efficiently catalyses the halogenation of a variety of organic substrates in dilute conditions in moderate to good yields using dilute hydrogen peroxide (30%) as an oxidizing agent exhibiting remarkable ortho selectivity with electron-rich aromatics.

  偏钒酸铵作为一种模拟钒依赖性金属酶的物质，在稀释条件下高效催化多种有机底物的卤化反应，在中等至良好的产率下，使用稀双氧水（30%）作为氧化剂，对富电子芳香族化合物具有显著的邻位选择性。