1,2,3-Trimethoxy-5-(2-methylpropyl)benzene | 1442416-19-4

• 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: 1,2,3-Trimethoxy-5-(2-methylpropyl)benzene
• CAS: 1442416-19-4
• 化学式: C₁₃H₂₀O₃
• 分子量: 224.3
• InChiKey: KSAIXMUSQQWFQM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1,2,3-三甲氧基苯 在 乙二醇二甲醚溴化镍 、 (1,5-cyclooctadiene)(methoxy)iridium(I) dimer 、 potassium tert-butylate 、 (1R,2R)-(-)-N,N'-二甲基-1,2-环己二胺 、 仲丁醇 、 4,4'-二叔丁基-2,2'-二吡啶 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 反应 33.0h， 生成 1,2,3-Trimethoxy-5-(2-methylpropyl)benzene
  参考文献：
  名称：

  通过铱催化的C ？进行芳烃的立体控制烷基化 H硼化

  摘要：

  互补化学：报道了一种通过空间效应控制芳烃的位点选择性烷基化的单锅法。发生的过程通过铱催化的Ç  ħ硼基化，随后Pd或Ni基催化的亲电子烷基偶联。这种选择性补充了典型的Friedel-Crafts烷基化反应的选择性。元的宽范围的各种电子性质和官能团的芳烃-选择性的烷基化发生在良好的产率与部位选择性高。

  DOI：

  10.1002/anie.201208203

文献信息

• Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same
  申请人：Kim Seon Mi

  公开号：US20130137661A1

  公开（公告）日：2013-05-30

  Disclosed are compounds useful as gonadotrophin-releasing hormone (“GnRH”) receptor antagonist.

  披露了作为促性腺激素释放激素（“GnRH”）受体拮抗剂有用的化合物。
• Crystal structure of liganded cFMS kinase domain
  申请人：Shewchuk Marie Lisa

  公开号：US20070010540A1

  公开（公告）日：2007-01-11

  A crystal structure of the cfms kinase domain, co-crystal structure with a bound small molecule, as well as methods of using the same in the discovery of cfms inhibitors and in the treatment of diseases mediated by inappropriate cfms activity.

  cfms激酶结构的晶体结构，与一个结合的小分子的共晶结构，以及使用相同方法在发现cfms抑制剂和治疗由不当cfms活性介导的疾病中的应用。
• Substituted Diaza-Spiro-[5.5]-Undecane Derivaties and Their Use as Neurokinin Antagonists
  申请人：Janssens Eduard Frans

  公开号：US20070232636A1

  公开（公告）日：2007-10-04

  This invention concerns substituted diaza-spiro-[5.5]-undecane derivatives having neurokinin antagonistic activity, in particular NK 1 antagonistic activity, a combined NK 1 /NK 2 antagonistic activity, a combined NK 1 /NK 3 antagonistic activity and a combined NK 1 /NK 2 /NK 3 antagonistic activity, their preparation, compositions comprising them and their use as a medicine, in particular for the treatment and/or prophylaxis of schizophrenia, emesis, anxiety and depression, irritable bowel syndrome (IBS), circadian rhythm disturbances, pre-eclampsia, nociception, pain, in particular visceral and neuropathic pain, pancreatitis, neurogenic inflammation, asthma, COPD and micturition disorders such as urinary incontinence. The compounds according to the invention can be represented by general Formula (I) and comprises also the pharmaceutically acceptable acid or base addition salts thereof, the stereochemically isomeric forms thereof, the N-oxide form thereof and prodrugs thereof, wherein all substituents are defined as in Claim 1.
• Compounds that interact with kinases
  申请人：Meutermans Wim

  公开号：US20080176815A1

  公开（公告）日：2008-07-24

  A method of inhibiting or effecting the activity of protein kinase activity which comprises contacting a protein kinase with a compound of formula (I) being a derivative of a furanose or pyranose form of a monosaccharide, or a pharmaceutically acceptable salt thereof.
• HETEROCYCLIC COMPOUNDS AS DCTPP1 MODULATORS
  申请人：Thomas Helledays Stiftelse for Medicinsk Forskning

  公开号：US20170305893A1

  公开（公告）日：2017-10-26

  The invention relates to compounds of formula I, or a pharmaceutically-acceptable salt thereof. The present invention also relates to pharmaceutical formulations comprising these compounds, and to their use as medicaments for the treatment of disorders where modulation of DCTPP (deoxycytidine triphosphate pyrophosphatase 1) activity exerts a therapeutic effect.