1-Amino-2,3-dimethylnaphthalin | 81824-67-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-Amino-2,3-dimethylnaphthalin
• 英文别名: 2,3-Dimethylnaphthalen-1-amine
• CAS: 81824-67-1
• 化学式: C₁₂H₁₃N
• mdl: MFCD18810630
• 分子量: 171.242
• InChiKey: HYYHZKJOMGKDEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-Amino-2,3-dimethylnaphthalin 在 硫酸 、 sodium nitrite 作用下， 生成 2,3-dimethyl-4-thiocyanato-1-naphthol
  参考文献：
  名称：

  Wieland,T.; Baeuerlein,E., Chemische Berichte, 1964, vol. 97, p. 2103 - 2108

  摘要：

  DOI：
• 作为产物：
  描述：

  2,3-二甲基萘 在 硝酸 、 乙酸酐 、 铁粉 、 氯化铵 作用下， 以 乙醇 、 水 为溶剂， 反应 14.0h， 生成 1-Amino-2,3-dimethylnaphthalin
  参考文献：
  名称：

  高度扭曲的 N,N-二烷基胺作为将简单芳烃调节为空间环境敏感荧光团的设计策略

  摘要：

  从实验和理论上研究了 9,10-双 (N,N-二烷基氨基) 蒽 (BDAAs) 荧光的空间环境敏感性。提出了一种新的设计策略，可以将简单的芳烃调节为有效的聚集诱导发光 (AIE) 发光原和分子转子。对于各种 BDAA，观察到显着的斯托克斯位移和有效的固态荧光。BDAA-甲基的计算表明，在基态 (S0) 构象中，锥体胺基团高度扭曲，因此它们的孤对轨道不能与蒽 π 轨道共轭。荧光发生在 S1 最小值，其中一个或两个胺基被平面化。S1 激发态最小值的稳定性以及 S0 态的不稳定是大斯托克斯位移的起源。非绝热转变速率的实验测量表明，二烷基氨基（或强给电子）基团的对位双取代是快速内部转化的关键。发现 S1 和 S0 状态之间的最小能量圆锥交点 (MECI) 具有类似杜瓦苯的结构。虽然这可以在液相中有效地达到以实现快速内部转化，但需要大振幅运动才能达到此 MECI，这在固态中是被禁止的，并导致了高效的

  DOI：

  10.1021/jacs.6b03749

文献信息

• [EN] TRANSITION-METAL-FREE N-ARYLATION OF TERTIARY AMINES USING ARYNES<br/>[FR] N-ARYLATION EXEMPTE DE MÉTAUX DE TRANSITION D'AMINES TERTIAIRES À L'AIDE D'ARYNES
  申请人：COUNCIL SCIENT IND RES

  公开号：WO2014207761A1

  公开（公告）日：2014-12-31

  The present invention relates to transition-metal-free process for the synthesis of tertiary arylamines comprises coupling reaction between arynes and N,N-dimethyl aniline compounds in presence of 18-crown-6, KF and THF.

  本发明涉及一种过渡金属无催化合成三级芳基胺的方法，包括在18-冠-6、KF和THF存在下，芳炔与N,N-二甲基苯胺化合物之间的偶联反应。
• Method for Producing Carbonyl Compund
  申请人：Shinohata Masaaki

  公开号：US20130178645A1

  公开（公告）日：2013-07-11

  A method for producing a carbonyl compound of the present invention comprises a step (X) of reacting a specific compound having a urea bond with a carbonic acid derivative having a carbonyl group (—C(═O)—) under heating at a temperature equal to or higher than the thermal dissociation temperature of the urea bond to obtain the carbonyl compound.

  本发明的生产羰基化合物的方法包括以下步骤（X）：将具有脲键的特定化合物与具有羰基（—C(═O)—）的碳酸衍生物在温度高于或等于脲键热解温度的条件下加热反应，以获得所述羰基化合物。
• N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, And Composition For Transfer And Storage Of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound
  申请人：Shinohata Masaaki

  公开号：US20110133121A1

  公开（公告）日：2011-06-09

  The present invention is a method for producing an N-substituted carbamic acid ester derived from an organic amine from an organic amine, a carbonic acid derivative and a hydroxy composition containing one or more types of hydroxy compounds, wherein the organic amine, the carbonic acid derivative and the hydroxy composition are reacted using a urethane production reaction vessel provided with a condenser, a gas containing the hydroxy composition, the compound having the carbonyl group derived from the carbonic acid derivative, and an ammonia formed as a by-product in the reaction, is introduced into the condenser provided in the urethane production reaction vessel, and the hydroxy composition and the compound having the carbonyl group derived from the carbonic acid derivative are condensed, and wherein a stoichiometric ratio of a hydroxy compound contained in the condensed hydroxy composition to the condensed compound having the carbonyl group derived from the carbonic acid derivative is 1 or more, and a ratio of number of carbonyl groups (—C(═O)—) contained in the compound having the carbonyl group derived from the carbonic acid derivative and number of ammonia molecules contained in the ammonia recovered as a gas from the condenser is 1 or less.

  本发明涉及一种从有机胺、碳酸衍生物和含有一种或多种羟基化合物中制得的N-取代氨基甲酸酯的制备方法，其中使用一种含有冷凝器的脲类生产反应容器反应有机胺、碳酸衍生物和羟基化合物，将含有羟基化合物的气体、来自碳酸衍生物衍生的含有羰基基团的化合物、以及在反应中形成的氨气体引入到脲类生产反应容器中的冷凝器中，使羟基化合物和含有羰基基团的化合物冷凝，其中在冷凝的羟基化合物中所含有的羟基化合物与冷凝的含有羰基基团的化合物中所含有的羰基基团的化合物的比例为1或更多，而且在从冷凝器中回收的氨气体中所含有的羰基基团（—C(═O)—）数与氨分子数的比例为1或更少。
• N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, and Composition for Transfer and Storage of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound
  申请人：Asahi Kasei Chemicals Corporation

  公开号：US20140194650A1

  公开（公告）日：2014-07-10

  The present invention is a method for producing an N-substituted carbamic acid ester derived from an organic amine from an organic amine, a carbonic acid derivative and a hydroxy composition containing one or more types of hydroxy compounds, wherein the organic amine, the carbonic acid derivative and the hydroxy composition are reacted using a urethane production reaction vessel provided with a condenser, a gas containing the hydroxy composition, the compound having the carbonyl group derived from the carbonic acid derivative, and an ammonia formed as a by-product in the reaction, is introduced into the condenser provided in the urethane production reaction vessel, and the hydroxy composition and the compound having the carbonyl group derived from the carbonic acid derivative are condensed, and wherein a stoichiometric ratio of a hydroxy compound contained in the condensed hydroxy composition to the condensed compound having the carbonyl group derived from the carbonic acid derivative is 1 or more, and a ratio of number of carbonyl groups (—C(═O)—) contained in the compound having the carbonyl group derived from the carbonic acid derivative and number of ammonia molecules contained in the ammonia recovered as a gas from the condenser is 1 or less.

  本发明是一种从有机胺、碳酸酯衍生物和含有一种或多种羟基化合物中制备N-取代的氨基甲酸酯的方法，其中利用一种尿素生产反应容器反应有机胺、碳酸酯衍生物和羟基化合物，该反应容器配有冷凝器，将含有羟基化合物的气体、由碳酸酯衍生物产生的含有羰基基团的化合物以及在反应中生成的氨引入到尿素生产反应容器中的冷凝器中，将羟基化合物和含有羰基基团的碳酸酯衍生物冷凝，其中在冷凝的羟基化合物中所含的羟基化合物的化学计量比与所冷凝的含有羰基基团的化合物的化学计量比为1或更多，而且所含有羰基基团的化合物中所含的羰基基团（-C(═O)-）的数量与从冷凝器中回收的氨分子数量的比率为1或更小。
• Process for the preparation of 3-(N-arylamino)-tetra-hydrothiophen-2-one
  申请人：Ciba-Geigy Corporation

  公开号：US04368327A1

  公开（公告）日：1983-01-11

  A process for the preparation of 3-(arylamino)-tetrahydrothiophen-2-one derivatives is described in which the corresponding 3-(N-arylamino)-tetrahydrofuran-2-one derivatives are reacted with salts of thiocarboxylic acids. 3-(N-Arylamino)-tetrahydrothiophen-2-one derivatives are usable fungicides for plants.

  本文描述了一种制备3-(芳基氨基)-四氢噻吩-2-酮衍生物的过程，其中相应的3-(N-芳基氨基)-四氢呋喃-2-酮衍生物与硫代羧酸盐反应。3-(N-芳基氨基)-四氢噻吩-2-酮衍生物是可用于植物的杀菌剂。