N-Aethyl-N-phenyl-harnstoff | 63098-95-3

• 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: N-Aethyl-N-phenyl-harnstoff
• 英文别名: N-ethyl-N-phenyl-urea；Urea, 1-ethyl-1-phenyl-；1-ethyl-1-phenylurea
• CAS: 63098-95-3
• 化学式: C₉H₁₂N₂O
• 分子量: 164.207
• InChiKey: BSRGHKIDHIAMAS-UHFFFAOYSA-N

物化性质

• 熔点：
  62.3-62.5 °C
• 沸点：
  273.4±23.0 °C(Predicted)
• 密度：
  1.134±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  46.3
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-Aethyl-N-phenyl-harnstoff 在 sodium hydroxide 、 三乙胺 作用下， 以 氯仿 为溶剂， 以75%的产率得到ethyl-phenyl-carbamonitrile
  参考文献：
  名称：

  Schroth, W.; Kluge, H.; Frach, R., Journal fur praktische Chemie (Leipzig 1954), 1983, vol. 325, # 5, p. 787 - 802

  摘要：

  DOI：
• 作为产物：
  描述：

  N-乙基-N-苯基氨基甲酰氯 在 乙醇 、 氨 、 苯 作用下， 生成 N-Aethyl-N-phenyl-harnstoff
  参考文献：
  名称：

  271.作为-苯基乙基脲的苯甲酰化

  摘要：

  DOI：

  10.1039/jr9360001273

文献信息

• Catalytic hydration of cyanamides with phosphinous acid-based ruthenium(<scp>ii</scp>) and osmium(<scp>ii</scp>) complexes: scope and mechanistic insights
  作者：Rebeca González-Fernández、Daniel Álvarez、Pascale Crochet、Victorio Cadierno、M. Isabel Menéndez、Ramón López

  DOI：10.1039/d0cy00523a

  日期：——

  phosphinous acid-based complexes [MCl2(η6-p-cymene)(PMe2OH)] (M = Ru (1), Os (2)) as catalysts. The reactions proceeded cleanly under mild conditions (40–70 °C), in the absence of any additive, employing low metal loadings (1 mol%) and water as the sole solvent. In almost all the cases, the osmium complex 2 featured a superior reactivity in comparison to that of its ruthenium counterpart 1. In addition

  通过使用水合相应的氰胺R 1 R 2 NC N成功地完成了多种脲R 1 R 2 NC（O）NH 2的合成（R 1和R 2 =烷基，芳基或H； 26个实例）的三价膦酸基配合物[的MC1 2（η 6 - p -cymene）（PME 2 OH）]（M =茹（1），锇（2））作为催化剂。反应在温和的条件下（40-70°C）干净进行，没有任何添加剂，使用低金属负载量（1 mol％）和水作为唯一溶剂。在几乎所有情况下，complex配合物2的反应活性都比钌配合物1高。另外，对于两种催化剂，氰酰胺底物水合所观察到的反应速率明显快于涉及传统脂族和芳族腈的反应速率。计算研究使我们能够合理化所有这些趋势。因此，计算表明存在直接与碳原子相连的氮原子当与金属中心配位时，N键通过感应效应使腈碳电子减少，从而促进次膦酸配体的OH基团对该碳的分子内亲核攻击。另一方面，Os对Ru的较高反应性似乎与初始金属环上较低的环应
• BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF
  申请人：SENOMYX, INC.

  公开号：US20160376263A1

  公开（公告）日：2016-12-29

  The present invention includes compounds and compositions known to modify the perception of bitter taste, and combinations of said compositions and compounds with additional compositions, compounds, and products. Exemplary compositions comprise one or more of the following: cooling agents; inactive drug ingredients; active pharmaceutical ingredients; food additives or foodstuffs; flavorants, or flavor enhancers; food or beverage products; bitter compounds; sweeteners; bitterants; sour flavorants; salty flavorants; umami flavorants; plant or animal products; compounds known to be used in pet care products; compounds known to be used in personal care products; compounds known to be used in home products; pharmaceutical preparations; topical preparations; cannabis-derived or cannabis-related products; compounds known to be used in oral care products; beverages; scents, perfumes, or odorants; compounds known to be used in consumer products; silicone compounds; abrasives; surfactants; warming agents; smoking articles; fats, oils, or emulsions; and/or probiotic bacteria or supplements.

  本发明涵盖已知用于改变苦味感知的化合物和组合物，以及所述组合物和化合物与额外的组合物、化合物和产品的组合。示例组合物包括以下一种或多种：冷却剂；无活性药物成分；活性药用成分；食品添加剂或食品；调味剂或调味增强剂；食品或饮料产品；苦味化合物；甜味剂；苦味剂；酸味调味剂；咸味调味剂；鲜味调味剂；植物或动物产品；已知用于宠物护理产品中的化合物；已知用于个人护理产品中的化合物；已知用于家用产品中的化合物；制药制剂；局部制剂；大麻衍生或与大麻相关的产品；已知用于口腔护理产品中的化合物；饮料；香味、香水或除臭剂；已知用于消费品中的化合物；硅化合物；磨料；表面活性剂；发热剂；吸烟物品；脂肪、油脂或乳化剂；和/或益生菌或补充剂。
• Piperazine urea derivatives for the treatment of endometriosis
  申请人：Kaufmann Ulrike

  公开号：US20080119471A1

  公开（公告）日：2008-05-22

  Use of a compound of the following formula (Ia): for the production of a medicament for the treatment of endometriosis in human wherein the treatment comprises administering to a human female in need of such treatment a therapeutically effective amount of said compound.

  使用以下化学式（Ia）的化合物制备治疗人类子宫内膜异位症的药物，其中治疗包括向需要此类治疗的女性人体内给予治疗有效量的该化合物。
• Method for inhibition of scale and scale inhibiting composition
  申请人：MOBIL OIL CORPORATION

  公开号：EP0459171A1

  公开（公告）日：1991-12-04

  A method for the inhibition of scale deposition on thesurfaces of a well coproducing oil and scale forming brines comprising injecting into the well reservoir an acidic (aqueous) solution at a first pH containing dissolved therein a scale inhibitor, multivalent metal ions, and a heat sensitive pH increasing substance which decomposes at elevated temperatures liberating an alkaline compound such that the solution is inherently heated by the higher ambient reservoir temperature to a temperature at which the alkaline compound is liberated from the heat sensitive substance thus raising the pH of the solution to a point at which a sparingly soluble multivalent metal salt of the scale inhibitor is phase separated from the solution on the porous surfaces of the reservoir rock formation, providing for a slow release of inhibitor into the produced brines when the well is in its production phase.

  一种抑制油井表面水垢沉积的方法，这种油井同时生产石油和形成水垢的盐水，该方法包括向油井储层注入第一pH值的酸性（水）溶液，该溶液中溶解有阻垢剂、多价金属离子、和一种对 pH 值有热敏性的物质，这种物质在高温下分解，释放出一种碱性化合物，从而使溶液被较高的储层环境温度固有地加热到一定温度，在该温度下，碱性化合物从热敏性物质中释放出来，从而使溶液的 pH 值升高到一定程度，在该程度上，阻垢剂的稀溶性多价金属盐与储层岩层多孔表面上的溶液相分离，从而使阻垢剂在油井处于生产阶段时缓慢释放到所生产的盐水中。
• Ink-jet ink
  申请人：KONICA MINOLTA HOLDINGS, INC.

  公开号：EP1724314A1

  公开（公告）日：2006-11-22

  An ink-jet ink comprising water and a compound represented by Formula (1) or Formula (2), provided that the compound is dissolved in the ink: Formula (1) R1R2N-CX-NR3R4, wherein R1, R2, R3, and R4 each independently represents a hydrogen atom, an alkyl group, or a group having a benzene ring or a heterocyclic ring; provided that a total number of carbon atoms and nitrogen atoms contained in R1, R2, R3 and R4 is 7 to 10; and X represents an oxygen atom or a sulfur atom, Formula (2) R5-CX-NR6R7 , wherein R5, R6, and R7 each independently represents a hydrogen atom, an alkyl group, or a group having a benzene ring or a heterocyclic ring; provided that a total number of carbon atoms and nitrogen atoms in R5, R6, and R7 is 6 to 10; and X represents an oxygen atom or a sulfur atom.

  一种喷墨墨水，包括水和式（1）或式（2）代表的化合物，条件是该化合物溶解在墨水中：式（1）R1R2N-CX-NR3R4，其中 R1、R2、R3 和 R4 各自独立地代表氢原子、烷基或具有苯环或杂环的基团；条件是 R1、R2、R3 和 R4 所含碳原子和氮原子的总数为 7 至 10；式（2）R5-CX-NR6R7，其中 R5、R6 和 R7 各自独立地代表氢原子、烷基或具有苯环或杂环的基团；条件是 R5、R6 和 R7 中碳原子和氮原子的总数为 6 至 10；以及 X 代表氧原子或硫原子。