1,2-双(4-乙基苯基)胍 | 128413-47-8

• 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: 1,2-双(4-乙基苯基)胍
• 英文名称: N,N'-bis(4-ethylphenyl)-Guanidine
• 英文别名: N,N'-di-p-ethylphenyl-guanidine；p-ethylDPhG；N,N'-bis-(4-ethyl-phenyl)-guanidine；N,N'-Bis-(4-aethyl-phenyl)-guanidin；N,N'-Di-4-Ethyl phenyl guanidine；N,N''-Bis(4-ethylphenyl)guanidine；1,2-bis(4-ethylphenyl)guanidine
• CAS: 128413-47-8
• 化学式: C₁₇H₂₁N₃
• 分子量: 267.374
• InChiKey: DXGARAMIKHFTJV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  50.4
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1,3-双(4-乙基苯基)硫脲 在 乙醇 、 氨 、 lead(II) oxide 作用下， 生成 1,2-双(4-乙基苯基)胍
  参考文献：
  名称：

  Paucksch, Chemische Berichte, 1884, vol. 17, p. 2805

  摘要：

  DOI：

文献信息

• Synthesis and structure-activity relationships of N,N'-di-o-tolylguanidine analogs, high-affinity ligands for the haloperidol-sensitive .sigma. receptor
  作者：Michael W. Scherz、Michelle Fialeix、James B. Fischer、N. Laxma Reddy、Alfred C. Server、Mark S. Sonders、Barbara C. Tester、Eckard Weber、Scott T. Wong、John F. W. Keana

  DOI：10.1021/jm00171a016

  日期：1990.9

  2-CH3C6H5). Replacement of one or both aryl rings with certain saturated carbocycles (e.g. cyclohexyl, norbornyl, or adamantyl) leads to a significant increase in affinity. By combining the best aromatic and best saturated carbocyclic substituents in the same molecule, we arrived at some of the most potent sigma ligands described to date (e.g. N-exo-2-norbornyl-N'-(2-iodophenyl)guanidine, IC50 = 3 nM vs [3H]-3)

  着眼于新型非典型抗精神病药的开发，我们研究了氟哌啶醇敏感的sigma受体的N，N'-二-邻甲苯基胍（DTG，3）及其同类物的结构亲和力关系。合成了许多DTG类似物，并在豚鼠脑膜匀浆的体外放射性配体置换实验中使用了高sigma特异性放射性配体[3H] -3和[3H]-（+）-3-（3-羟苯基）进行了评估。 -N-（1-丙基）哌啶和苯环利定（PCP）受体特异性化合物[3H] -N- [1-（2-噻吩基）-环己基]哌啶和[3H]-（+）-5-甲基-10 ，11-二氢-5H-二苯并[a，d]环庚烯-5，10-亚胺。N，N'-二芳基胍对sigma受体的亲和力随邻位取代基的体积比C2H5大而增加。疏水取代基通常优于类似位置的亲水取代基。此外，电子中性取代基优于强电子给体或吸电子基团。只要胍的至少一侧带有优选基团（例如2-CH 3 C 6 H 5），通常就可以保持与σ受体的显着结合。用某些饱和的碳环（例
• A process for producing n-phosphonomethylglycine derivatives and herbicidal compounds and compositions prepared thereby
  申请人：Geshuri Laboratories Ltd.

  公开号：EP0098034A2

  公开（公告）日：1984-01-11

  The invention provides a process for producing water-soluble mono and di-N-Phosphonomethylglycine amine and iminourea salts from N-phosphonomethyliminodiacetic acid derivatives comprising oxidizing an aryl substituted iminourea salt of N-phosphonomethyliminodiacetic acid of the general formula VI wherein Ar1 and Ar2 are each independently selected from the group consisting of phenyl, alkylphenyl and halophenyl to form a N-phosphonomethylglycine iminourea salt of the general formula VII reacting the salt of formula VII with an amine, iminourea, diamine, or diiminourea having a molecular weight below 600 and a pKa above 10 in aqueous solution and separating the resulting water insoluble aryl iminourea from the resulting water soluble N-phosphonomethyl-glycine salt product. The invention also provides herbicidal N-phosphonomethylglycine compounds and compositions prepared by the above process.

  本发明提供了一种从 N-膦酰甲基亚氨基二乙酸衍生物生产水溶性单-和双-N-膦酰甲基甘氨酸胺和亚氨基脲盐的工艺，包括氧化通式 VI 的 N-膦酰甲基亚氨基二乙酸的芳基取代的亚氨基脲盐 其中 Ar1 和 Ar2 各自独立地选自苯基、烷基苯基和卤化苯基组成的组，形成通式 VII 的 N-膦酰甲基甘氨酸亚氨基脲盐 在水溶液中将式 VII 的盐与分子量低于 600、pKa 高于 10 的胺、亚氨基脲、二胺或二亚氨基脲反应，并将所得的不溶于水的芳基亚氨基脲与所得的水溶性 N-膦酰甲基甘氨酸盐产物分离。本发明还提供了通过上述工艺制备的除草 N-膦酰甲基甘氨酸化合物和组合物。
• Copper-Catalyzed Guanidinylation of Aryl Iodides: The Formation of <i>N,N′</i>-Disubstituted Guanidines
  作者：Michelle Cortes-Salva、Be-Lan Nguyen、Javier Cuevas、Keith R. Pennypacker、Jon C. Antilla

  DOI：10.1021/ol1002175

  日期：2010.3.19

  A copper-catalyzed cross-coupling reaction of guanidine nitrate with aryl iodides was used for the formation of N,N'-disubstituted guanidines to be used as potential therapeutics for strokes. A relatively inexpensive commercially available guanidine salt and a series of aryl iodides together with copper iodide and N,N-diethylsalicylamide as an efficient catalyst/ligand system provided a simple diarylation procedure.
• SIGMA BRAIN RECEPTOR LIGANDS AND THEIR USE
  申请人：STATE OF OREGON acting by and through the Oregon State Board Of Higher Education for and on behalf of the Oregon

  公开号：EP0314690A1

  公开（公告）日：1989-05-10
• EP0314690A4
  申请人：——

  公开号：EP0314690A4

  公开（公告）日：1989-11-07