1-(溴甲基)-3-异丙基苯 | 75369-42-5

• 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-(溴甲基)-3-异丙基苯
• 英文名称: 1-(bromomethyl)-3-isopropylbenzene
• 英文别名: 1-(bromomethyl)-3-propan-2-ylbenzene
• CAS: 75369-42-5
• 化学式: C₁₀H₁₃Br
• 分子量: 213.117
• InChiKey: GYFDUIHVBNYYFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 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-(溴甲基)-3-异丙基苯 在 (R)-3,3'-dichloro-1,1'-binaphthalene-2,2'-diol 、 potassium permanganate 、 sodium periodate 、 dilithium tetrachlorocuprate 、 氯化锑(V) 、 水 、 sodium carbonate 、 magnesium 作用下， 以 四氢呋喃 、 二氯甲烷 、 叔丁醇 为溶剂， 反应 14.25h， 生成 脱氢松香酸
  参考文献：
  名称：

  Useful Catalytic Enantioselective Cationic Double Annulation Reactions Initiated at an Internal π-Bond: Method and Applications

  摘要：

  The 1:1 complex of o,o'-dichloro-R-BINOL and SbCl5 initiates the enantioselective cationic polycyclization of polyunsaturated substrates at a predictable pi-bond which may be either terminal or, as shown herein, internal. The extension of this powerful construction to internal pi-bonds expands the scope of this method and opens up very short pathways to numerous chiral polycyclic molecules, including natural products and their analogues. Especially simple synthetic routes are disclosed that provide access to dysideapalaunic acid, dehydroabietic acid, and epipodocarpic acid and illustrate, the value of this enantioselective approach.

  DOI：

  10.1021/ja4125093
• 作为产物：
  描述：

  1-溴-3-异丙基苯 在 三溴化磷 、 magnesium 、 1,2-二溴乙烷 作用下， 以 四氢呋喃 为溶剂， 反应 1.5h， 生成 1-(溴甲基)-3-异丙基苯
  参考文献：
  名称：

  Useful Catalytic Enantioselective Cationic Double Annulation Reactions Initiated at an Internal π-Bond: Method and Applications

  摘要：

  The 1:1 complex of o,o'-dichloro-R-BINOL and SbCl5 initiates the enantioselective cationic polycyclization of polyunsaturated substrates at a predictable pi-bond which may be either terminal or, as shown herein, internal. The extension of this powerful construction to internal pi-bonds expands the scope of this method and opens up very short pathways to numerous chiral polycyclic molecules, including natural products and their analogues. Especially simple synthetic routes are disclosed that provide access to dysideapalaunic acid, dehydroabietic acid, and epipodocarpic acid and illustrate, the value of this enantioselective approach.

  DOI：

  10.1021/ja4125093

文献信息

• Attenuation of London Dispersion in Dichloromethane Solutions
  作者：Robert Pollice、Marek Bot、Ilia J. Kobylianskii、Ilya Shenderovich、Peter Chen

  DOI：10.1021/jacs.7b06997

  日期：2017.9.20

  London dispersion constitutes one of the fundamental interaction forces between atoms and between molecules. While modern computational methods have been developed to describe the strength of dispersive interactions in the gas phase properly, the importance of inter- and intramolecular dispersion in solution remains yet to be fully understood because experimental data are still sparse in that regard

  伦敦色散构成原子之间以及分子之间基本相互作用力之一。尽管已经开发出现代计算方法来恰当地描述气相中分散相互作用的强度，但是溶液中分子间和分子内分散的重要性仍有待充分理解，因为在这方面实验数据仍然很少。我们在本文中报告了伦敦分散体在气相和二氯甲烷溶液中对质子结合的二聚体的键解离的贡献的详细实验和计算研究，表明溶剂对分子间和分子内分散相互作用的衰减很大（约70％的二氯甲烷），但不完整，
• CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS
  申请人：Janssen Pharmaceutica NV

  公开号：US20220089538A1

  公开（公告）日：2022-03-24

  Compounds of Formula (I), and pharmaceutically acceptable salts, isotopes, N-oxides, solvates, and stereoisomers thereof, pharmaceutical compositions containing them, methods of making them, and methods of using them including methods for treating disease states, disorders, and conditions associated with MGL modulation, such as those associated with pain, psychiatric disorders, neurological disorders (including, but not limited to depression, major depressive disorder, treatment resistant depression, anxious depression, autism spectrum disorders, Asperger syndrome, and bipolar disorder), cancers and eye conditions: wherein R 1 , , R 3 , and L are as defined herein.

  式(I)的化合物及其药用盐、同位素、N-氧化物、溶剂合物和立体异构体，包含它们的药物组合物，制备它们的方法以及使用它们的方法，包括用于治疗与MGL调节相关的疾病状态、疾病和症状的方法，如与疼痛、精神障碍、神经障碍（包括但不限于抑郁症、重度抑郁症、治疗抵抗性抑郁症、焦虑性抑郁症、自闭症谱系障碍、阿斯伯格综合征和躁狂症）、癌症和眼部疾病相关的疾病状态、疾病和症状：其中R1、R3和L如本文所定义。
• COMPOUND HAVING CYCLIC STRUCTURE
  申请人：Daiichi Sankyo Company, Limited

  公开号：US20200347030A1

  公开（公告）日：2020-11-05

  An object of the present invention is to provide a compound having an anti-inflammatory activity or a pharmacologically acceptable salt thereof. The solution of the present invention is a compound of general formula (1) or a pharmacologically acceptable salt thereof. wherein the symbols in the formula are defined below: A: e.g., Benzene, E: e.g., —CH 2 —, G: e.g., a 5-membered aromatic heterocyclic ring, X: e.g., cyclohexane, J: e.g., a 5-membered aromatic heterocyclic ring, Y: e.g., a phenyl group, R 1 , R 2 , R 3 : e.g., a halogen atom, R 4 : e.g., a C1-C6 alkyl group, R 5 : e.g., a hydrogen atom, R 6a , R 6b , R 6c , R 6d : e.g., a hydrogen atom, R 7 : e.g., a hydrogen atom, R 8 : e.g., a hydrogen atom, n 1 , n 2 , n 3 : e.g., 1.

  本发明的一个目的是提供具有抗炎活性或其药理学可接受盐的化合物。本发明的解决方案是一般式（1）的化合物或其药理学可接受的盐。其中，公式中的符号定义如下：A：例如苯，E：例如—CH2—，G：例如5-成员芳香杂环环，X：例如环己烷，J：例如5-成员芳香杂环环，Y：例如苯基，R1、R2、R3：例如卤原子，R4：例如C1-C6烷基，R5：例如氢原子，R6a、R6b、R6c、R6d：例如氢原子，R7：例如氢原子，R8：例如氢原子，n1、n2、n3：例如1。
• Modulators of C3a receptor and methods of use thereof
  申请人：Biediger Ronald J.

  公开号：US20080188528A1

  公开（公告）日：2008-08-07

  Provided are compounds that are modulators of C3a receptor activity, compositions containing the compounds and methods of use of the compounds and compositions. In certain embodiments, the compounds are pyridones. In certain embodiments, provided are methods for treatment or amelioration of diseases associated with modulation of C3a receptor activity.

  提供了一些化合物，它们是C3a受体活性的调节剂，包括含有这些化合物的组合物和使用这些化合物和组合物的方法。在某些实施例中，这些化合物是吡啶酮。在某些实施例中，提供了用于治疗或改善与C3a受体活性调节相关的疾病的方法。
• Urea Glucokinase Activators
  申请人：Lau Jesper

  公开号：US20090105482A1

  公开（公告）日：2009-04-23

  The invention provides a compound of general formula (I) wherein the substituents are defined further in the application, as well as further embodiments hereof described in the attached embodiments. The present invention also provides use of the compounds of the invention for preparation of a medicament for the treatment of various diseases, e.g. for the treatment of type 2 diabetes.

  本发明提供了一种具有一般式(I)的化合物，其中取代基在申请书中进一步定义，以及在所附的实施例中进一步描述的本发明的其他实施例。本发明还提供了使用该化合物制备药物治疗各种疾病的用途，例如治疗2型糖尿病。