2,6-diethylbenzonitrile | 6575-14-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,6-diethylbenzonitrile
• 英文别名: 2,6-diethylphenylCN；2,6-Diethyl-benzonitril
• CAS: 6575-14-0
• 化学式: C₁₁H₁₃N
• 分子量: 159.231
• InChiKey: CJMUUZJMEHARSF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2926909090

反应信息

• 作为反应物：
  描述：

  2,6-diethylbenzonitrile 在 磷酸 作用下， 生成 2,6-二乙基苯甲酸
  参考文献：
  名称：

  Notes. 2,6-Diethyl Homologs of Bromobenzene, Benzonitrile, Benzamide and Benzoic Acid

  摘要：

  DOI：

  10.1021/jo01060a610
• 作为产物：
  描述：

  2-溴-1,3-二乙基苯 、 氰化亚铜 生成 2,6-diethylbenzonitrile
  参考文献：
  名称：

  Notes. 2,6-Diethyl Homologs of Bromobenzene, Benzonitrile, Benzamide and Benzoic Acid

  摘要：

  DOI：

  10.1021/jo01060a610

文献信息

• [EN] ECO-FRIENDLY MATERIALS AND METHODS FOR RENEWABLE AND SUSTAINABLE APPLICATIONS IN MATERIAL CHEMISTRY<br/>[FR] MATÉRIAUX ET PROCÉDÉS RESPECTUEUX DE L'ENVIRONNEMENT POUR DES APPLICATIONS RENOUVELABLES ET DURABLES DANS LA CHIMIE DES MATÉRIAUX
  申请人：NDSU RES FOUND

  公开号：WO2017156066A1

  公开（公告）日：2017-09-14

  The invention relates to novel hydrazide-based templates, methods of making the same, and methods of using the hydrazide-based templates as molecular scaffolds for asymmetric light driven transformations, light driven material synthesis, and biological applications. Furthermore, the present invention relates to photoinitiators, monomers, and polymers derived from biomass, together with methods and methods of using the same.

  该发明涉及新型基于肼酰肼的模板，制备方法以及将基于肼酰肼的模板用作不对称光驱动转化、光驱动材料合成和生物应用的分子支架的方法。此外，本发明涉及从生物质衍生的光引发剂、单体和聚合物，以及使用它们的方法。
• Reactions of an Aluminum Amide with Aromatic Nitriles: Formation of Al−N−C Frameworks
  作者：K. Maheswari、N. M. Rajendran、Jens Meyer、N. Dastagiri Reddy

  DOI：10.1021/om100406y

  日期：2010.9.13

  nitrile/alumazene), in which the nitriles coordinate to Al. Compounds 3−6 and 7a−c have been structurally characterized. 3 is comprised of four four-membered aluminum amidinate rings. 5 features a core made of three Al2N2 and two AlCN2 four-membered rings fused together. The structures of 4 and 6 consist of a dimer of a six-membered Al2CN3 framework. A high-yield synthesis of 3 from N-(Dipp)benzamidine and AlMe3 has

  四元Al-N环[（Dipp）HNAlMe 2 ] 2（2 ; Dipp = 2,6-二异丙基苯基）与芳族腈PhCN，TbpCN（Tbp = 4-叔丁基苯基），DmpCN（报道了Dmp ＝ 2，6-二甲基苯基），DepCN（DepCN ＝ 2，6-二乙基苯基）和DippCN。2种发生反应与PHCN，得到1:2插入产品，所述四聚体铝脒基3，而用TbpCN它给出了1：1的插入产品4 - 6。在类似条件下，DmpCN，DepCN和DippCN不经历插入而是形成alumazene（的简单加合物1），图7a - Ç和图8a -c（2：1和1：1腈/铝腈），其中腈与Al配位。化合物3 - 6和图7a - ç已经在结构表征。图3由四个四元a基铝环组成。图5的特征在于由三个Al 2 N 2和两个AlCN 2四元环稠合在一起制成的芯。4和6的结构由六元Al 2 CN 3骨架的二聚体组成。的高收率合成3从ñ -
• N-arylbenzamide derivatives
  申请人：ELI LILLY AND COMPANY

  公开号：EP0049071A1

  公开（公告）日：1982-04-07

  N-arylbenzamide derivatives of formula (I) wherein Z is oxygen or sulfur, R1,R2, R3 are hydrogen or a substituent, R4 is an heteroaryl group linked to the nitrogen atom by a carbon atom, selected from possibly substituted isoxazole, isothiazole, pyrazole, imidazole, thiadiazole, oxadiazole or pyridazine. These compounds can be used as herbicides.

  式(I)的 N-芳基苯甲酰胺衍生物 其中 Z 是氧或硫；R1、R2、R3 是氢或取代基；R4 是通过碳原子与氮原子相连的杂芳基，选自可能取代的异噁唑、异噻唑、吡唑、咪唑、噻二唑、噁二唑或哒嗪。 这些化合物可用作除草剂。
• Inhibitors of benzylaminoxidases, selective with respect to other aminoxidases
  申请人：CONSIGLIO NAZIONALE DELLE RICERCHE

  公开号：EP0210140A2

  公开（公告）日：1987-01-28

  Selective inhibitors of benzylaminoxidases, said inhibitors consisting of compounds of the general formula I wherein X is a group C-R4 or a nitrogen atom, R' and R2, which can be the same or different from each other, represent hydrogen, hydroxyl groups, alkoxyl groups, or alkyl, alkenyl, hydroxyalkyl, alkoxyalkyl, hydroxyalkoxyalkyl, hydroxyalkoxyl, alkoxyalkoxyl, hydroxyalkoxyalkxyl, phenoxyl or phenoxyalkyl groups or their substitution derivatives in the phenxyl group, provided that no more than one of the same be hydrogen, and one or more of the symbols R3, R4 or R5 are hydrogen atoms or alkyl or hydroxyl or alkoxyl or hydroxyalkyl or hydroxyalkoxyl or hydroxyalkoxyalkyl or haloalkyl or carboxylic or carboxylic or ester or amido or nitrile or sulfonic groups or halogen atoms or nitro groups.

  苄基氨基氧化酶的选择性抑制剂，所述抑制剂由通式 I 的化合物组成 其中 X 是基团 C-R4 或氮原子，R'和 R2 可以相同或不同，代表氢、羟基、烷氧基或烷基、烯基、羟烷基、烷氧基烷基、羟基烷氧基、羟基烷氧基、烷氧基烷氧基、羟基烷氧基烷氧基、苯氧基或苯氧基烷基或它们在苯氧基中的取代衍生物、只要其中不超过一个为氢，且一个或多个符号 R3、R4 或 R5 为氢原子或烷基或羟基或烷氧基或羟基烷基或羟基烷氧基或羟基烷氧基或卤代烷基或羧基或羧酸基或酯基或氨基或腈基或磺酸基或卤原子或硝基。
• Synthesis of 2,6-disubstituted benzylamine derivatives as reversible selective inhibitors of copper amine oxidases
  作者：Francesco Lucchesini、Marco Pocci、Silvana Alfei、Vincenzo Bertini、Franca Buffoni

  DOI：10.1016/j.bmc.2014.01.037

  日期：2014.3

  In order to obtain substrate-like inhibitors of copper amine oxidases (CAOs), a class of enzymes involved in important cellular processes as well as in crosslinking of elastin and collagen and removal of biogenic primary amines, we synthesized a set of benzylamine derivatives properly substituted at positions 2 and 6 and studied their biological activity towards some members of CAOs.With benzylamines 6, 7, 8 containing linear alkoxy groups we obtained reversible inhibitors of benzylamine oxidase (BAO), very active and selective toward diamine oxidase (DAO), lysyl oxidase (LO) and monoamine oxidase B (MAO B) characterized by a certain toxicity consequent to the crossing of the brain barrier. Poorly toxic, up to very active, reversible inhibitors of BAO, very selective toward DAO, LO and MAO B, were obtained with benzylamines 10, 11, 12 containing hydrophilic x-hydroxyalkoxy groups. With benzylamines 13, 14, 15, containing linear alkyl groups endowed with steric, but not conjugative effects for the absence of properly positioned oxygen atoms, we synthesized moderately active inhibitors of BAO reversible and selective toward DAO, LO and MAO B.The cross examination of the entire biological data brought us to the conclusion that the bioactive synthesized compounds most likely exert their physiological role of reversible inhibitors in consequence of the formation of a plurality of hydrogen bonds or hydrophobic non-covalent interactions with proper sites in the protein. Accordingly, the reported inhibitors may be considered as a set of research tools for general biological studies and the formation of enzyme complexes useful for X-ray structure determinations aimed at the design of more sophisticated inhibitors to always better modulate the protein activity without important side effects. (C) 2014 Elsevier Ltd. All rights reserved.