3-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol | 77531-73-8

• 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: 3-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol
• CAS: 77531-73-8
• 化学式: C₁₂H₁₈O₃
• 分子量: 210.273
• InChiKey: VCHWMPOYLSAFQW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol 在 氯化亚砜 、 四溴化碳 、 四氯化锡 、 三苯基膦 、 sodium nitrite 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 苯 为溶剂， 反应 18.5h， 生成 Methyl 2-[4,5-dimethoxy-2-(2-methyl-3-nitropropyl)benzoyl]benzoate
  参考文献：
  名称：

  Probing the Steric Space at the Floor of the D₁ Dopamine Receptor Orthosteric Binding Domain: 7α-, 7β-, 8α-, and 8β-Methyl Substituted Dihydrexidine Analogues

  摘要：

  To probe the space at the floor of the orthosteric ligand binding site in the dopamine D-1 receptor, four methylated analogues of dihydrexidine (DHX) were synthesized with substitutions at the 7 and 8 positions. The 8 alpha-axial, 8 beta-equatorial, and 7 alpha-equatorial were synthesized by photochemical cyclization of appropriately substituted N-benzoyl enamines, and the 7 beta-axial analogue was prepared by an intramolecular Henry reaction. All of the methylated analogues displayed losses in affinity when compared to DHX (20 nM): 8 beta-Me-ax-DHX (270 nM), 8 alpha-Me-eq-DHX (920 nM), 7 beta-Me-eq-DHX (6540 nM), and 7 alpha-Me-ax-DFLX (>10000 nM). Molecular modeling studies suggest that although the disruption of an aromatic interaction between Phe203(54.7) and Phe288(6.51) is the cause for the 14-fold loss in affinity associated with 8 beta-axial substitution, unfavorable steric interactions with Ser107(3.36) result in the more dramatic decreases in binding affinity suffered by the rest of the analogues.

  DOI：

  10.1021/jm200334c
• 作为产物：
  描述：

  2-methyl-3-(3,4-dimethoxyphenyl)acrylic acid 在 nickel/aluminium alloy 、 sodium hydroxide 、 diborane(6) 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 3-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol
  参考文献：
  名称：

  Probing the Steric Space at the Floor of the D₁ Dopamine Receptor Orthosteric Binding Domain: 7α-, 7β-, 8α-, and 8β-Methyl Substituted Dihydrexidine Analogues

  摘要：

  To probe the space at the floor of the orthosteric ligand binding site in the dopamine D-1 receptor, four methylated analogues of dihydrexidine (DHX) were synthesized with substitutions at the 7 and 8 positions. The 8 alpha-axial, 8 beta-equatorial, and 7 alpha-equatorial were synthesized by photochemical cyclization of appropriately substituted N-benzoyl enamines, and the 7 beta-axial analogue was prepared by an intramolecular Henry reaction. All of the methylated analogues displayed losses in affinity when compared to DHX (20 nM): 8 beta-Me-ax-DHX (270 nM), 8 alpha-Me-eq-DHX (920 nM), 7 beta-Me-eq-DHX (6540 nM), and 7 alpha-Me-ax-DFLX (>10000 nM). Molecular modeling studies suggest that although the disruption of an aromatic interaction between Phe203(54.7) and Phe288(6.51) is the cause for the 14-fold loss in affinity associated with 8 beta-axial substitution, unfavorable steric interactions with Ser107(3.36) result in the more dramatic decreases in binding affinity suffered by the rest of the analogues.

  DOI：

  10.1021/jm200334c

文献信息

• [EN] FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE<br/>[FR] COMPOSITION FONGICIDE CONTENANT UN DÉRIVÉ D'AMIDE D'ACIDE
  申请人：ISHIHARA SANGYO KAISHA

  公开号：WO2006016708A1

  公开（公告）日：2006-02-16

  Conventional many fungicidal compositions have had practical problems such that either a preventive effect or a curing effect is inadequate, the residual effect tends to be inadequate, or the controlling effect against plant diseases tends to be inadequate depending upon the application site, and a fungicidal composition to overcome such problems has been desired. The present invention provides a fungicidal composition containing an acid amide derivative of the formula (I) or a salt thereof, as an active ingredient: wherein A is phenyl which may be substituted, benzyl which may be substituted, naphthyl which may be substituted, heterocyclic ring which may be substituted, fused heterocyclic ring which may be substituted, or the like; B is heterocyclic ring which may be substituted, fused heterocyclic ring which may be substituted, or naphthyl which may be substituted; each of R1 and R2 which are independent of each other, is alkyl, or the like; R3 is hydrogen, or the like; each of W1 and W2 which are independent of each other, is oxygen or sulfur.

  传统的许多杀真菌组合物存在实际问题，例如预防效果或治疗效果不足，残留效果往往不足，或者根据应用场所，控制植物病害的效果往往不足，因此需要一种能够克服这些问题的杀真菌组合物。本发明提供了一种含有式(I)的酸酰胺衍生物或其盐的杀真菌组合物作为活性成分：其中A是苯基，可能被取代，苄基，可能被取代，萘基，可能被取代，杂环环，可能被取代，融合的杂环环，可能被取代，或类似物；B是可能被取代的杂环环，融合的可能被取代的杂环环，或可能被取代的萘基；R1和R2各自独立的，是烷基，或类似物；R3是氢，或类似物；W1和W2各自独立的，是氧或硫。
• Functional Group Interconversion of Alkylidenemalononitriles to Primary Alcohols by a Cooperative Redox Operation
  作者：Alexander J. Grenning、Fabien Emmetiere

  DOI：10.1055/s-0040-1707184

  日期：——

  Functional group interconversions are essential chemical processes enabling synthesis. In this report, we describe a strategy to convert alkylidenemalononitriles into primary alcohols in one step. The reaction relies on a choreographed redox process involving alkylidene reduction, malononitrile oxidation, and acylcyanide reduction where molecular oxygen and NaBH4 work cooperatively. The method was applied to a variety of carbon skeletons and was utilized to synthesize complex terpenoid architectures.

  功能团互变是实现合成的基本化学过程。在这份报告中，我们描述了一种将烯基丙二腈转化为一步制备的初级醇的策略。该反应依赖于经过精心设计的氧化还原过程，涉及烯基丙烯还原、丙二腈氧化和酰氰还原，其中分子氧和NaBH4共同发挥作用。这种方法已应用于各种碳骨架，并用于合成复杂的萜类结构。
• INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP0411150A1

  公开（公告）日：1991-02-06

  This invention relates to indole derivatives of general formula (1) and salts thereof, a method for preparing same, and applications thereof in the prevention and treatment of nephritis, wherein R represents hydrogen, cyano or one of various other substituents, 1 is an integer of 1 or 2, R' represents hydrogen, one of various substituents or a group of formula (2) (wherein A represents a single bond, -CH(OH)-, -CH=, -C(=0)- or alkyl, and R2, R3, R4, R5 and R6 each represents one of various substituents),and Z represents hydrogen or a group of formula (2) provided that R1 represents a group of formula (2) when Z represents hydrogen.

  本发明涉及通式(1)的吲哚衍生物及其盐、制备方法以及在预防和治疗肾炎中的应用，其中R代表氢、氰基或其它各种取代基之一，1为1或2的整数，R'代表氢、其中 A 代表单键、-CH(OH)-、-CH=、-C(=0)- 或烷基，R2、R3、R4、R5 和 R6 各代表各种取代基之一），Z 代表氢或式（2）基团，但当 Z 代表氢时，R1 代表式（2）基团。
• Pyrazine derivatives
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP0511879B1

  公开（公告）日：1995-03-22
• FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE
  申请人：ISHIHARA SANGYO KAISHA, LTD.

  公开号：EP1776011A1

  公开（公告）日：2007-04-25