2-(dichloromethyl)quinazoline | 6141-10-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-(dichloromethyl)quinazoline
• 英文别名: 2-Dichlor-methyl-chinazolin；Quinazoline, 2-dichloromethyl-
• CAS: 6141-10-2
• 化学式: C₉H₆Cl₂N₂
• 分子量: 213.066
• InChiKey: SKDMLCRXTNDPGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-trichloromethylquinazoline 在 甲醇 、 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 反应 8.0h， 以85%的产率得到2-(dichloromethyl)quinazoline
  参考文献：
  名称：

  三氯甲基化合物的化学选择性还原宝石-Dichloromethyl集团进行阿佩尔的反应方案

  摘要：

  修改Appel的反应方案（使用三苯基膦和甲醇）后，简单而轻松地还原三氯乙酰基化合物即可得到相应的二氯乙酰基化合物（三氯乙酰基吗啉除外），在非常温和的实验条件下收率可达80-98％。同样，当三氯甲基杂环化合物包含另一个反应性官能团时，该反应是高度化学选择性的，得到二氯甲基衍生物。

  DOI：

  10.1021/acs.joc.6b02044

文献信息

• Novel encoding method for "one-bead one-compound" combinatorial libraries
  申请人：The Regents of the University of California

  公开号：US20040235054A1

  公开（公告）日：2004-11-25

  The present invention provides a library of compounds, wherein each compound is encoded by several coding building blocks that are each separately attached to a solid support via a cleavable linker. Following screening of the compounds, the coding tags can be cleaved, and then characterized by mass spectrometry.

  本发明提供了一种化合物库，其中每种化合物都由若干编码构件编码，这些编码构件通过可裂解连接体分别连接到固体支持物上。对化合物进行筛选后，可对编码标记进行裂解，然后用质谱法对其进行表征。
• Preparation and application of encoded bead aggregates in combinatorial chemistry
  申请人：The Regents of the University of California

  公开号：US20040235053A1

  公开（公告）日：2004-11-25

  The present invention relates to methods of preparing a library of compounds using encoded bead aggregates. The structural features of the compounds are encoded, and the quantities of compound prepared are sufficient for solution phase studies.
• [EN] PREPARATION AND APPLICATION OF ENCODED BEAD AGGREGATES IN COMBINATORIAL CHEMISTRY<br/>[FR] PREPARATION ET APPLICATION D'AGREGATS DE BILLES CODEES EN CHIMIE COMBINATOIRE
  申请人：UNIV CALIFORNIA

  公开号：WO2004085049A2

  公开（公告）日：2004-10-07

  The present invention relates to methods of preparing a library of compounds using encoded bead aggregates. The structural features of the compounds are encoded, and the quantities of compound prepared are sufficient for solution phase studies.
• [EN] A NOVEL ENCODING METHOD FOR "ONE-BEAD ONE-COMPOUND" COMBINATORIAL LIBRARIES<br/>[FR] NOUVELLE METHODE DE CODAGE POUR DES BIBLIOTHEQUES COMBINATOIRES = UNE BILLE/UN COMPOSE >/=
  申请人：UNIV CALIFORNIA

  公开号：WO2004087933A2

  公开（公告）日：2004-10-14

  The present invention provides a library of compounds, wherein each compound is encoded by several coding building blocks that are each separately attached to a solid support via a cleavable linker. Following screening of the compounds, the coding tags can be cleaved, and then characterized by mass spectrometry.
• Chemoselective Reduction of Trichloromethyl Compounds to <i>gem</i>-Dichloromethyl Groups Following Appel’s Reaction Protocol
  作者：Moises A. Romero-Reyes、Ivann Zaragoza-Galicia、Horacio F. Olivo、Moises Romero-Ortega

  DOI：10.1021/acs.joc.6b02044

  日期：2016.10.7

  trichloroacetyl compounds following the modification of Appel’s reaction protocol, using triphenylphosphine and methanol, afforded the corresponding dichloroacetyl compounds, with the exception of trichloroacetylmorpholine, in yields of 80–98% under very mild experimental conditions. Likewise, when trichloromethyl heterocyclic compounds contain another reactive functional group, the reaction is highly chemoselective

  修改Appel的反应方案（使用三苯基膦和甲醇）后，简单而轻松地还原三氯乙酰基化合物即可得到相应的二氯乙酰基化合物（三氯乙酰基吗啉除外），在非常温和的实验条件下收率可达80-98％。同样，当三氯甲基杂环化合物包含另一个反应性官能团时，该反应是高度化学选择性的，得到二氯甲基衍生物。