2-叔丁基-4,6-二氯-1,3,5-三嗪 | 705-23-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 中文名称: 2-叔丁基-4,6-二氯-1,3,5-三嗪
• 英文名称: 2-tert-butyl-4,6-dichloro-1,3,5-triazine
• 英文别名: 2-(Tert-butyl)-4,6-dichloro-1,3,5-triazine
• CAS: 705-23-7
• 化学式: C₇H₉Cl₂N₃
• 分子量: 206.075
• InChiKey: MKOAJICWQJCFMS-UHFFFAOYSA-N

物化性质

• 沸点：
  62 °C(Press: 1.5 Torr)
• 密度：
  1.290±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-叔丁基-4,6-二氯-1,3,5-三嗪 在 potassium carbonate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 78.0h， 生成 5,11,17,23-Tetratert-butyl-25,27-bis(phenylmethoxy)-2,8,14,20-tetraoxa-4,6,16,18,26,28-hexazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene
  参考文献：
  名称：

  Formation and Conformational Conversion of Flattened Partial Cone Oxygen Bridged Calix[2]arene[2]triazines

  摘要：

  A stepwise fragment coupling reaction starting with substituted dichlorotriazine and resorcinol derivatives gave rise to thermodynamically favored 1,3-alternate tetraoxacalix[2]arene[2]triazines and kinetically controlled flattened partial cone tetraoxacalix[2]arene[2]triazines. The flattened partial cone conformer, which was stable due to the steric effect, converted into the 1,3-alternate conformer via ether bond cleavage upon treatment with an inorganic base.

  DOI：

  10.1021/ol0710008
• 作为产物：
  描述：

  三聚氯氰 、 叔丁基氯化镁 在 copper(l) iodide 作用下， 以 四氢呋喃 为溶剂， 反应 1.17h， 生成 2-叔丁基-4,6-二氯-1,3,5-三嗪
  参考文献：
  名称：

  伯醇催化吡咯的C-烷基化：Hans Fischer碱和铱，P，N，P-Pinc配合物的新方法

  摘要：

  一百年前，汉斯·费舍尔（Hans Fischer）在220°C下用伯醇和碱将吡咯烷基化。但是，这种氢自动转移（借用氢）烷基化反应在铱，P，N，P夹杂铱催化剂存在下，在较温和的条件下进行。

  DOI：

  10.1002/ejoc.201800146

文献信息

• Trizaine-based dehydrative condensation reagents bearing carbon-substituents
  作者：Masanori Kitamura、Sayaka Komine、Kohei Yamada、Munetaka Kunishima

  DOI：10.1016/j.tet.2019.130900

  日期：2020.3

  chlorotriazines and their ammonium salts, and demonstrate their utility in dehydrative condensation reactions. Although the electrophilicity of these reagents is mainly dependent on the hybridization of the carbon-substituents, it was found that bulky 2,6-dimethylphenyl group-substituted reagents resulted in the highest product yields because of a slight increase in reagent electrophilicity and/or steric hindrance

  在本文中，我们报道了烷基，芳基和炔基取代的氯三嗪及其铵盐的合成，并证明了它们在脱水缩合反应中的效用。尽管这些试剂的亲电性主要取决于碳取代基的杂交，但是发现大体积的2,6-二甲基苯基取代的试剂由于试剂的亲电性和/或空间性略有提高而导致最高的产品收率。不利于所需的脱水缩合反应。
• [EN] TRIAZINE COMPOUNDS AND COMPOSITIONS THEREOF AND METHODS FOR TREATING MALARIA AND CHEMOPROPHYLAXIS<br/>[FR] COMPOSÉS DE TRIAZINE ET LEURS COMPOSITIONS ET PROCÉDÉS DE TRAITEMENT DU PALUDISME ET DE CHIMIOPROPHYLAXIE
  申请人：US OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY ON BEHALF OF THE WALTER REED ARMY INST OF

  公开号：WO2014159993A1

  公开（公告）日：2014-10-02

  Disclosed herein are triazine compounds and methods of making and using thereof to treat malaria, provide chemoprophylaxis, and/or treat or inhibit infection by one or more Plasmodium spp.

  本文披露了三嗪化合物及其制备和使用方法，用于治疗疟疾、提供化学预防和/或治疗或抑制一种或多种疟原虫感染。
• Synthesis and Structural Characterization of an S-linked Calix[3]azine
  作者：Mark Mascal、John L Richardson、Alexander J Blake、Wan-Sheung Li

  DOI：10.1016/s0040-4039(97)01814-5

  日期：1997.10

  An S-linked, heterocyclic calix[3]arene analogue 2 is prepared by condensation of a dichloro-1,3,5-triazine with sulfide ion. X-ray structural analysis shows that 2 is approximately disk shaped in the solid state, while molecular modelling indicates a high degree of conformational mobility. © 1997 Elsevier Science Ltd.

  通过使二氯-1,3,5-三嗪与硫化物离子缩合来制备S-连接的杂环杯[3]芳烃类似物2。X射线结构分析表明，固态时2近似为圆盘状，而分子建模则表明高度的构象迁移率。©1997爱思唯尔科学有限公司。
• Preventives or remidies for alzheimer's disease or amyloid protein fibrosis inhibitors containing nitrogen-containing heteroaryl compounds
  申请人：Meguro Masaki

  公开号：US20050054732A1

  公开（公告）日：2005-03-10

  The present invention relates to preventives or remedies for Alzheimer's disease, or to amyloid protein fibril-formation inhibitors, which include as an active ingredient a compound of general formula (I) below or a pharmacologically permitted salt thereof; and also to nitrogen-containing heteroaryl derivatives having specific substituents, or pharmacologically permitted salts thereof, which are valuable as preventives or remedies for Alzheimer's disease, or as amyloid protein fibril-formation inhibitors: (where, R 1 and R 2 are H or alkyl; Z 1 and Z 2 are H, alkyl, alkoxy, haloalkyl or halogeno; Z 3 is alkoxy, SH, alkylthio, NH 2 , mono- or di-alkylamino, OH or halogeno; Z 4 and Z 5 are H or halogeno; and A is 4,6-pyrimidine-1,3-diyl, 1,3,5-triazine-2,6-diyl, etc).

  本发明涉及预防或治疗阿尔茨海默病的药物或药物，或β淀粉样蛋白纤维形成抑制剂，其中包括通式（I）下的化合物或其药学上允许的盐作为活性成分；还涉及具有特定取代基的含氮杂环衍生物或其药学上允许的盐，其作为防治阿尔茨海默病的药物或β淀粉样蛋白纤维形成抑制剂具有价值：（其中，R1和R2是H或烷基；Z1和Z2是H，烷基，烷氧基，卤代烷基或卤素基；Z3是烷氧基，SH，烷硫基，NH2，单或双烷基氨基，OH或卤素基；Z4和Z5是H或卤素基；A是4,6-嘧啶-1,3-二基，1,3,5-三嗪-2,6-二基等）。
• Preventives or remedies for Alzheimer's disease, or amyloid protein fibril-formation inhibitors, which include a nitrogen-containing heteroaryl compound
  申请人：Meguro Masaki

  公开号：US20080182846A1

  公开（公告）日：2008-07-31

  The present invention relates to preventives or remedies for Alzheimer's disease, or to amyloid protein fibril-formation inhibitors, which include as an active ingredient a compound of general formula (I) below or a pharmacologically permitted salt thereof; and also to nitrogen-containing heteroaryl derivatives having specific substituents, or pharmacologically permitted salts thereof, which are valuable as preventives or remedies for Alzheimer's disease, or as amyloid protein fibril-formation inhibitors: (where, R 1 and R 2 are H or alkyl; Z 1 and Z 2 are H, alkyl, alkoxy, haloalkyl or halogeno; Z 3 is alkoxy, SH, alkylthio, NH 2 , mono- or di-alkylamino, OH or halogeno; Z 4 and Z 5 are H or halogeno; and A is 4,6-pyrimidine-1,3-diyl, 1,3,5-triazine-2,6-diyl, etc).

  本发明涉及用于预防或治疗阿尔茨海默病的药物或疗法，或者用于抑制淀粉样蛋白纤维形成的药物，其中包括通式（I）所示的化合物或其药学上允许的盐作为活性成分；以及具有特定取代基的含氮杂环衍生物或其药学上允许的盐，它们对于预防或治疗阿尔茨海默病或作为淀粉样蛋白纤维形成抑制剂非常有价值。（其中，R1和R2为H或烷基；Z1和Z2为H、烷基、烷氧基、卤代烷基或卤素；Z3为烷氧基、SH、烷基硫醇、NH2、单烷基或二烷基氨基、OH或卤素；Z4和Z5为H或卤素；A为4,6-嘧啶-1,3-二基、1,3,5-三嗪-2,6-二基等）。