4,6-dimethoxy-1-methylindole-3-carbaldehyde | 696649-93-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 4,6-dimethoxy-1-methylindole-3-carbaldehyde
• 英文别名: 4,6-Dimethoxy-1-methyl-1H-indole-3-carbaldehyde
• CAS: 696649-93-1
• 化学式: C₁₂H₁₃NO₃
• mdl: MFCD05258767
• 分子量: 219.24
• InChiKey: CTAYNLZGYKRPEJ-UHFFFAOYSA-N

物化性质

• 熔点：
  129-130 °C
• 沸点：
  399.5±37.0 °C(Predicted)
• 密度：
  1.17±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  40.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  4,6-dimethoxy-1-methylindole-3-carbaldehyde 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 反应 0.5h， 生成 3-hydroxymethyl-4,6-dimethoxy-1-methylindole
  参考文献：
  名称：

  Synthesis of indolocyclotriveratrylenes

  摘要：

  Indolocyclotriveratrylenes linked through C2 and C3 can be prepared by acid-catalysed reactions of indole-2- or -3-methanols. The initial example, compound 1 has been confirmed, and an X-ray crystal structure is reported. Seven new examples of indolocyclotriveratrylenes, namely 7, 9, 11, 13,17, 28 and 29 are described. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.05.092
• 作为产物：
  描述：

  1-methyl-4,6-dimethoxyindole 、 N,N-二甲基甲酰胺 在 三氯氧磷 作用下， 以83%的产率得到4,6-dimethoxy-1-methylindole-3-carbaldehyde
  参考文献：
  名称：

  Synthesis of indolocyclotriveratrylenes

  摘要：

  Indolocyclotriveratrylenes linked through C2 and C3 can be prepared by acid-catalysed reactions of indole-2- or -3-methanols. The initial example, compound 1 has been confirmed, and an X-ray crystal structure is reported. Seven new examples of indolocyclotriveratrylenes, namely 7, 9, 11, 13,17, 28 and 29 are described. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.05.092

文献信息

• Pyrazolopyridine derivatives as inhibitors of beta-Adrenergic Receptor Kinase 1
  申请人：STEINHAGEN Henning

  公开号：US20080227777A1

  公开（公告）日：2008-09-18

  The invention relates to 6-amido substituted pyrazolopyridine derivatives of the formula (I) useful as inhibitors of beta-adrenergic receptor kinase 1 (βARK-1), compositions containing such compounds and their use for the treatment and prevention of chronic heart failure, hypertension, myocardial ischemia and hepatitis C virus (HCV) infections, and for the prevention of opiate addiction.

  本发明涉及式(I)的6-酰胺取代吡唑吡啶衍生物，其可用作β-肾上腺素能受体激酶1（βARK-1）的抑制剂，包含这种化合物的组合物以及它们用于治疗和预防慢性心力衰竭、高血压、心肌缺血和丙型肝炎病毒（HCV）感染以及预防鸦片成瘾的用途。
• PYRAZOLOPYRIDINE DERIVATIVES AS INHIBITORS OF BETA-ADRENERGIC RECEPTOR KINASE 1
  申请人：Sanofi-Aventis

  公开号：EP1899333B1

  公开（公告）日：2009-02-18
• US7910602B2
  申请人：——

  公开号：US7910602B2

  公开（公告）日：2011-03-22
• [EN] PYRAZOLOPYRIDINE DERIVATIVES AS INHIBITORS OF BETA-ADRENERGIC RECEPTOR KINASE 1<br/>[FR] DERIVES DE PYRAZOLOPYRIDINE UTILISES EN TANT QU'INHIBITEURS DE LA KINASE 1 DU RECEPTEUR $G(B)-ADRENERGIQUE
  申请人：SANOFI AVENTIS DEUTSCHLAND

  公开号：WO2007000241A1

  公开（公告）日：2007-01-04

  [EN] The invention relates to 6-amido substituted pyrazolopyridine derivatives of the formula (I) useful as inhibitors of beta-adrenergic receptor kinase 1 (ßARK-1 ), compositions containing such-compounds and their use for the treatment and prevention of chronic heart failure, hypertension, myocardial ischemia and hepatitis C virus (HCV) infections, and for the prevention of opiate addiction.
  [FR] L'invention concerne des dérivés de pyrazolopyridine 6-amido substitués de formule (I) utiles en tant qu'inhibiteurs de la kinase 1 du récepteur bêta-adrénergique (ßARK-1), des compositions contenant lesdits composés et leur utilisation pour le traitement et la prévention de l'insuffisance cardiaque chronique, de l'hypertension, de l'ischémie myocardique et d'infections par le virus de l'hépatite C (HCV), ainsi que pour la prévention de la toxicomanie opiacée.
• Synthesis of indolocyclotriveratrylenes
  作者：Mardi Santoso、Kittiya Somphol、Naresh Kumar、David StC. Black

  DOI：10.1016/j.tet.2009.05.092

  日期：2009.8

  Indolocyclotriveratrylenes linked through C2 and C3 can be prepared by acid-catalysed reactions of indole-2- or -3-methanols. The initial example, compound 1 has been confirmed, and an X-ray crystal structure is reported. Seven new examples of indolocyclotriveratrylenes, namely 7, 9, 11, 13,17, 28 and 29 are described. (C) 2009 Elsevier Ltd. All rights reserved.