3,4-二甲基苯胺 | 7356-54-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3,4-二甲基苯胺
• 英文名称: 3,4-dimethylaniline hydrochloride
• 英文别名: (3,4-dimethylphenyl)azanium;chloride
• CAS: 7356-54-9
• 化学式: C₈H₁₂N*Cl
• mdl: MFCD25966771
• 分子量: 157.643
• InChiKey: OYZCOOMMDVDZNW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.17
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  26
• 氢给体数：
  2
• 氢受体数：
  1

安全信息

• 危险性防范说明：
  P264,P270,P301+P312,P330,P501
• 危险性描述：
  H302
• 储存条件：
  2-8°C，惰性气体

反应信息

• 作为反应物：
  描述：

  3,4-二甲基苯胺 在 氯仿 、 水 、 溴 作用下， 生成 6,7-二甲基-苯并噻唑-2-基胺
  参考文献：
  名称：

  Lewkoew et al., Zhurnal Obshchei Khimii, 1952, vol. 22, p. 516,518; engl. Ausg. S. 581, 584

  摘要：

  DOI：
• 作为试剂：
  描述：

  2-溴次黄嘌呤 、 3,4-二甲基苯胺 在 3,4-二甲基苯胺 作用下， 以 乙二醇甲醚 为溶剂， 生成 N²-(3,4-dimethylphenyl)guanine
  参考文献：
  名称：

  2-（pn-丁基苯胺基）嘌呤及其核苷类似物的合成，细胞生长抑制和抗肿瘤筛选。

  摘要：

  合成了N2-（pn-丁基苯基）鸟嘌呤（BuPG）和2-（pn-丁基苯胺基）腺嘌呤（BuAA）的衍生物，并测试了它们作为哺乳动物DNA聚合酶α，细胞生长和大分子合成的抑制剂。2-（pn-Butylanilino）-6-氯嘌呤（BuACl）用作制备一系列6取代类似物的有用中间体。BuACl的钠盐与2-乙氧基3,5-二-对甲苯甲酰基-β-D-呋喃呋喃糖基氯在乙腈中反应，得到64％的相应9-β核苷（封端的BuAdCl）和仅14％ 7-β异构体 在BuAdCl中对氯进行解封和取代生成了一系列2-（pn-丁基苯胺基）-9-（2-脱氧-β-D-核呋喃糖基）嘌呤衍生物。解封并取代6-氯基团后，BuACl的钠盐与（2-乙酰氧基乙氧基）甲基溴反应，一系列的2-（pn-丁基苯胺基）-9-[（2-羟基乙氧基）甲基]嘌呤。合成的碱基是从中国仓鼠卵巢细胞中分离的DNA聚合酶α的抑制剂，最有效的化合物是2-（pn-丁基

  DOI：

  10.1021/jm00384a019

文献信息

• Seven-Membered Azabridged Neonicotinoids: Synthesis, Crystal Structure, Insecticidal Assay, and Molecular Docking Studies
  作者：Renbo Xu、Ming Luo、Rui Xia、Xiaoqing Meng、Xiaoyong Xu、Zhiping Xu、Jiagao Cheng、Xusheng Shao、Houju Li、Zhong Li

  DOI：10.1021/jf504014y

  日期：2014.11.19

  To study the influence of the ring sizes, 37 novel seven-membered azabridged neonicotinoid analogues were synthesized by reactions of nitromethylene analogues, succinaldehyde, and aniline hydrochlorides. Most of the title compounds presented higher insecticidal activities than that of imidacloprid (IMI), cycloxaprid (CYC), and eight-membered compounds against cowpea aphid (Aphis craccivora), armyworm

  为了研究环尺寸的影响，通过硝基亚甲基类似物，琥珀醛和苯胺盐酸盐的反应合成了37个新颖的七元氮杂桥连新烟碱类似物。大多数标题化合物的杀虫活性均高于吡虫啉（IMI），环磷酰胺（CYC）和八元化合物对against豆蚜虫（Aphis craccivora），粘虫（Pseudaletia separata Walker）和褐飞虱（Nilaparvata lugens）的杀虫活性。），这表明引入七元氮杂桥的结构可以显着提高新烟碱类似物的杀虫活性。对接研究和结合模式分析还表明，将甲基引入苯环的2位可以增加与受体的疏水性相互作用，这暗示2位可能是获得高杀虫化合物的关键部位。
• Olefin polymerisation catalysts and processes for producing olefin polymers
  申请人：TOSOH CORPORATION

  公开号：EP0849292A1

  公开（公告）日：1998-06-24

  Catalysts for olefin polymerization which consist essentially of a transition metal compound, a modified clay compound and an organic aluminum compound, wherein the modified clay compound comprises a reaction product of a clay mineral and a proton acid salt of a specific amine compound, as well as a method of polymerizing olefins using such catalysts. It is possible thereby to obtain olefin polymers with high productivity and low ash content.

  烯烃聚合催化剂，主要由过渡金属化合物、改性粘土化合物和有机铝化合物组成，其中改性粘土化合物包括粘土矿物和特定胺化合物的质子酸盐的反应产物，以及使用这种催化剂聚合烯烃的方法。由此可以获得生产率高、灰分含量低的烯烃聚合物。
• Synthesis and structure-activity relationships of novel antiseptics
  作者：Hidetsugu Tsubouchi、Kinue Ohguro、Koichi Yasumura、Hiroshi Ishikawa、Mikio Kikuchi

  DOI：10.1016/s0960-894x(97)00297-7

  日期：1997.7

  For the purpose of developing new antiseptics, we searched for compounds having high biocidal activity covering both gram-positive and gram-negative bacteria. Accordingly, we designed 1,5-disubstituted biguanides and synthesized them using two alternative efficient reaction schemes. The bactericidal activity of these biguanides was assayed by the micro titration plate method. Among the biguanides synthesized, 3,4-dichlorobenzyl derivatives were found to exhibit particularly high bactericidal activity. Ultimately, compound 11 was chosen as a candidate novel antiseptic, which is currently under continued. evaluation. (C) 1997 Elsevier Science Ltd.
• Methyl Analogues of the Experimental Alzheimer Drug Phenserine:  Synthesis and Structure/Activity Relationships for Acetyl- and Butyrylcholinesterase Inhibitory Action
  作者：Qian-sheng Yu、Harold W. Holloway、Judith L. Flippen-Anderson、Brian Hoffman、Arnold Brossi、Nigel H. Greig

  DOI：10.1021/jm010080x

  日期：2001.11.1

  With the goal of developing potential Alzheimer's pharmacotherapeutics, we have synthesized a series of novel analogues of the potent anticholinesterases phenserine (2) and physostigmine (1). These derivatives contain methyl (3, 4, 6), dimethyl (5, 7, 8, 10, 11) and trimethyl (14) substituents in each position of the phenyl group of the phenylcarbamoyl moieties, and with N-methyl and 6-methyl substituents (12, 13, 31, 33). We also quantified the inhibitory action of these compounds against human acetylcholinesterase (AChE) and butyrylcholinesterase (BChE). An analysis of the structure/anticholinesterase activity relationship of the described compounds, together with molecular modeling, confirmed the catalytic triad mechanism of the binding of this class of carabamate analogues within AChE and BChE and defined structural requirements for their differential inhibition.
• King; Wright, Proceedings of the Royal Society of London. Series B, Biological sciences, 1948, vol. 135, p. 271,277
  作者：King、Wright

  DOI：——

  日期：——

表征谱图