2-甲基-1-甲基氨基萘 | 190514-63-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 2-甲基-1-甲基氨基萘
• 英文名称: 2-methyl-1-methylaminonaphthalene
• 英文别名: methyl-(2-methyl-[1]naphthyl)-amine；Methyl-(2-methyl-[1]naphthyl)-amin；1-Methylamino-2-methyl-naphthalin；N,2-dimethylnaphthalen-1-amine
• CAS: 190514-63-7
• 化学式: C₁₂H₁₃N
• 分子量: 171.242
• InChiKey: MECUQNPRIJUNEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-甲基-1-甲基氨基萘 在 奎宁 、 苯 作用下， 生成 (-)-N-methyl-N-(2-methyl-[1]naphthyl)-succinamic acid
  参考文献：
  名称：

  Restricted Rotation in Aryl Amines. III. Preparation and Resolution of N-Succinyl-1-methylamino-2-methylnaphthalene and N-Succinyl-1-methylamino-4-chloro-2-methylnaphthalene¹

  摘要：

  DOI：

  10.1021/ja01258a066
• 作为产物：
  描述：

  2-甲基-二硝基萘酚 在 甲醇 、 水 、 镍 作用下， 生成 2-甲基-1-甲基氨基萘
  参考文献：
  名称：

  Restricted Rotation in Aryl Amines. III. Preparation and Resolution of N-Succinyl-1-methylamino-2-methylnaphthalene and N-Succinyl-1-methylamino-4-chloro-2-methylnaphthalene¹

  摘要：

  DOI：

  10.1021/ja01258a066

文献信息

• Insights into the Origins of Configurational Stability of Axially Chiral Biaryl Amines with an Intramolecular N−H−N Hydrogen Bond
  作者：Kazuhiro Hayashi、Nobuyuki Matubayasi、Changsheng Jiang、Tomoyuki Yoshimura、Swapan Majumdar、Takahiro Sasamori、Norihiro Tokitoh、Takeo Kawabata

  DOI：10.1021/jo100586b

  日期：2010.8.6

  spectrum in CDCl3, indicating strong hydrogen bonding. Biaryl amines with an extremely strong intramolecular N−H−N hydrogen bond (δNH ∼13 ppm) were assumed to undergo racemization without cleavage of an N−H−N hydrogen bond, while those with a mediumly strong N−H−N hydrogen bond (δNH ∼11 ppm) are assumed to undergo racemization via cleavage of an N−H−N hydrogen bond. Hydrogen/deuterium exchange of a chiral

  已经开发出具有分子内NH-N氢键的结构稳定的手性联芳基胺。外消旋化的障碍在19.3-28.2 kcal / mol的范围内，这对应于20°C下对映异构体的外消旋半衰期在7 s至2年的范围内。这些化合物中的一些的对映异构体可通过具有手性固定相的HPLC分离。联芳胺被认为具有与联萘基骨架相似的构象，这由联芳胺的X射线晶体分析表明。N- H在CDCl 3中的1 H NMR光谱中显示为11.1-13.3 ppm ，表明存在强氢键。联芳基具有非常强的分子内NH-N氢键胺（δ NH假定〜13 ppm）经历了消旋作用而没有N–H–N氢键的断裂，而那些具有中等强度NH –N氢键的物质（δNH〜11 ppm）被假定为通过消旋而被消旋。 N–H–N氢键。发现进行手性联芳基胺的氢/氘交换而没有任何外消旋化的痕迹。
• HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE
  申请人：Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences

  公开号：EP3444031A1

  公开（公告）日：2019-02-20

  Provided are a heterocyclic carboxylic acid amide ligand and applications thereof in a copper catalyzed coupling reaction. Specifically, provided are uses of a compound represented by formula (I), definitions of radical groups being described in the specifications. The compound represented by formula (I) can be used as the ligand in the copper catalyzed coupling reaction of the aryl halogeno substitute, and is used or catalyzing the coupling reaction for forming the aryl halogeno substitute having C-N, C-O, C-S and other bonds.

  本发明提供了一种杂环羧酸酰胺配体及其在铜催化偶联反应中的应用。具体而言，提供了由式（I）代表的化合物的用途，基团的定义在说明书中描述。式（I）代表的化合物可用作铜催化卤代芳基化合物偶联反应中的配体，用于或催化偶联反应以形成具有 C-N、C-O、C-S 和其他键的卤代芳基化合物。
• Chromatographic materials for the separation of unsaturated molecules
  申请人：Waters Technologies Corporation

  公开号：US10092894B2

  公开（公告）日：2018-10-09

  The present disclosure relates to a method of separating a compound of interest, particularly unsaturated compound(s) of interest, from a mixture. The compound is separated using a column having a chromatographic stationary phase material for various different modes of chromatography containing a first substituent and a second substituent. The first substituent minimizes compound retention variation over time under chromatographic conditions. The second substituent chromatographically and selectively retains the compound by incorporating one or more aromatic, polyaromatic, heterocyclic aromatic, or polyheterocyclic aromatic hydrocarbon groups, each group being optionally substituted with an aliphatic group.

  本公开涉及一种从混合物中分离相关化合物，特别是相关不饱和化合物的方法。使用色谱柱分离化合物，该色谱柱具有用于各种不同色谱模式的色谱固定相材料，其中含有第一取代基和第二取代基。在色谱条件下，第一取代基可最大程度地减少化合物保留时间的变化。第二取代基通过加入一个或多个芳香族、多芳香族、杂环芳香族或多杂环芳香族烃基团（每个基团可选择被脂肪族基团取代），在色谱上选择性地保留化合物。
• Synthesis and characterization of 5,6,7,8-tetrahydroquinoline C5a receptor antagonists
  作者：J. Kent Barbay、Yong Gong、Mieke Buntinx、Jian Li、Concha Claes、Pamela J. Hornby、Guy Van Lommen、Jean Van Wauwe、Wei He

  DOI：10.1016/j.bmcl.2008.03.049

  日期：2008.4

  A novel series of substituted 2-aryl-5-amino-5,6,7,8-tetrahydroquinoline C5a receptor antagonists is reported. Synthetic routes were developed that allow the substituents on the tetrahydroquinoline core to be efficiently varied, facilitating determination of structure-activity relationships. Members of the series display high binding affinity for the C5a receptor and are potent functional antagonists. (c) 2008 Elsevier Ltd. All rights reserved.
• Conformation studies by dynamic NMR. 37. Monitoring the stereomutations of symmetric amines by a chiral auxiliary agent
  作者：D. Casarini、S. Davalli、Ludovico Lunazzi、D. Macciantelli

  DOI：10.1021/jo00280a031

  日期：1989.9