Diethyl-carbamic acid 3,4-dichloro-2-methyl-phenyl ester | 204930-40-5

• 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: Diethyl-carbamic acid 3,4-dichloro-2-methyl-phenyl ester
• 英文别名: 3,4-Dichloro-2-methylphenyl diethylcarbamate；(3,4-dichloro-2-methylphenyl) N,N-diethylcarbamate
• CAS: 204930-40-5
• 化学式: C₁₂H₁₅Cl₂NO₂
• 分子量: 276.163
• InChiKey: JOXSYKFTYUXSLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Diethyl-carbamic acid 3,4-dichloro-2-methyl-phenyl ester 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 以62%的产率得到3,4-dichloro-2-methylphenol
  参考文献：
  名称：

  Transition metal catalysed cross-coupling between benzylic halides and aryl nucleophiles. Synthesis of some toxicologically interesting tetrachlorobenzyltoluenes.

  摘要：

  The aryl-benzyl cross-coupling in the presence of copper-, nickel-and palladium-catalysts has been investigated with a number of chlorine-and methyl-substituted arylmetal compounds ArM (M= MgBr, ZnCl) and (substituted) benzylic halides ArCH2X. The results have been applied in the selective synthesis of some toxicologically interesting tetrachlorobenzyltoluenes. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)83030-5
• 作为产物：
  描述：

  3,4-dichlorophenyl N,N-diethylcarbamate 、 碘甲烷 在 四甲基乙二胺 、 仲丁基锂 作用下， 生成 Diethyl-carbamic acid 3,4-dichloro-2-methyl-phenyl ester
  参考文献：
  名称：

  Transition metal catalysed cross-coupling between benzylic halides and aryl nucleophiles. Synthesis of some toxicologically interesting tetrachlorobenzyltoluenes.

  摘要：

  The aryl-benzyl cross-coupling in the presence of copper-, nickel-and palladium-catalysts has been investigated with a number of chlorine-and methyl-substituted arylmetal compounds ArM (M= MgBr, ZnCl) and (substituted) benzylic halides ArCH2X. The results have been applied in the selective synthesis of some toxicologically interesting tetrachlorobenzyltoluenes. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)83030-5

文献信息

• [EN] ARYL HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS<br/>[FR] COMPOSÉS D'ARYLE HÉTÉROCYCLIQUES EN TANT QUE BLOQUEURS DES CANAUX POTASSIQUES SHAKER KV1.3
  申请人：DE SHAW RES LLC

  公开号：WO2021071802A1

  公开（公告）日：2021-04-15

  A compound of Formula (I), or a pharmaceutically-acceptable salt thereof, is described, wherein the substituents are as defined herein. Pharmaceutical compositions comprising the same and method of using the same are also described.

  本发明涉及一种化合物，其化学式为（I），或其药学上可接受的盐，其中取代基如本文所定义。还描述了包含该化合物的药物组合物以及使用该药物的方法。
• Transition metal catalysed cross-coupling between benzylic halides and aryl nucleophiles. Synthesis of some toxicologically interesting tetrachlorobenzyltoluenes.
  作者：Robert-Jan de Lang、Marcel J.C.M. van Hooijdonk、Lambert Brandsma、Hester Kramer、Willem Seinen

  DOI：10.1016/s0040-4020(98)83030-5

  日期：1998.3

  The aryl-benzyl cross-coupling in the presence of copper-, nickel-and palladium-catalysts has been investigated with a number of chlorine-and methyl-substituted arylmetal compounds ArM (M= MgBr, ZnCl) and (substituted) benzylic halides ArCH2X. The results have been applied in the selective synthesis of some toxicologically interesting tetrachlorobenzyltoluenes. (C) 1998 Elsevier Science Ltd. All rights reserved.

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