N-(4-tolyl)-4-(n-butyl)aniline | 936487-27-3

• 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-(4-tolyl)-4-(n-butyl)aniline
• 英文别名: 4-butyl-N-(4-methylphenyl)benzenamine；4-butyl-N-(p-tolyl)aniline；N-(4-butylphenyl)-4-methylaniline
• CAS: 936487-27-3
• 化学式: C₁₇H₂₁N
• 分子量: 239.36
• InChiKey: CLSGSNCAGKFTRZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-(4-tolyl)-4-(n-butyl)aniline 在 peroxyl radical 作用下， 以 氯苯 为溶剂， 生成
  参考文献：
  名称：

  Incorporation of Ring Nitrogens into Diphenylamine Antioxidants: Striking a Balance between Reactivity and Stability

  摘要：

  The incorporation of nitrogen atoms into the aryl rings of conventional diphenylamine antioxidants enables the preparation of readily accessible, air-stable analogues, several of which have temperature-independent radical-trapping activities up to 200-fold greater than those of typical commercial diphenylamines. Amazingly, the nitrogen atoms raise the oxidation potentials of the amines without greatly changing their radical-trapping (H-atom transfer) reactivity.

  DOI：

  10.1021/ja300086z
• 作为产物：
  描述：

  1-正-丁基-4-碘苯 、 乙烷,三氯氟- 在 nickel(II) iodide 、 potassium phosphate 、 苯基硼酸1,3-丙二醇酯 作用下， 以 1,4-二氧六环 为溶剂， 反应 24.0h， 以93%的产率得到N-(4-tolyl)-4-(n-butyl)aniline
  参考文献：
  名称：

  活化剂促进的芳基卤化物依赖性化学选择性Buchwald-Hartwig和Suzuki-Miyaura型交叉偶联反应。

  摘要：

  在此，我们报告了芳基卤化物依赖的化学选择性反应的发展，即在异质可重复使用的镍催化剂和Suzuki-X的存在下，芳基碘化物与芳基硼酸和芳基胺的Buchwald-Hartwig型偶联反应。在相似条件下芳基氯的Miyaura型偶联。对照实验表明，化学计算量的苯基硼酸/酯和芳基胺的存在对于两个反应都是必不可少的。NMR和XAFS研究表明形成了硼胺“盐”配合物。

  DOI：

  10.1021/acs.orglett.0c01600

文献信息

• Palladium-Catalyzed Amination of Aryl Chlorides and Bromides with Ammonium Salts
  作者：Rebecca A. Green、John F. Hartwig

  DOI：10.1021/ol501739g

  日期：2014.9.5

  We report the palladium-catalyzed coupling of aryl halides with ammonia and gaseous amines as their ammonium salts. The coupling of aryl chlorides and ortho-substituted aryl bromides with ammonium sulfate forms anilines with higher selectivity for the primary arylamine over the diarylamine than couplings with ammonia in dioxane. The resting state for the reactions of aryl chlorides is different from

  我们报道了钯催化的芳基卤化物与氨和气态胺作为铵盐的偶联。芳基氯和邻位取代的芳基溴与硫酸铵偶联形成苯胺，与二恶烷中的氨偶联相比，对伯芳胺的选择性高于对二芳胺的选择性。芳基氯反应的静止状态与芳基溴反应的静止状态不同，并且提出这种静止状态的变化是为了解释两种卤代芳烃的反应选择性的差异。
• Leuco colorants as bluing agents in laundry care compositions
  申请人：The Procter & Gamble Company

  公开号：US11136535B2

  公开（公告）日：2021-10-05

  A laundry care composition comprising: (a) at least one laundry care ingredient, (b) a leuco composition; (c) a stabilizing amount of an antioxidant composition which comprises at least one phenol selected from the group consisting of alkylated phenol, hindered phenol, and mixtures thereof and at least one substituted diarylamine, wherein the mole ratio of the phenol to the substituted diarylamine is greater than 1:1.

  一种衣物护理组合物，包括：(a) 至少一种衣物护理成分；(b) 一种洗衣剂组合物；(c) 一种稳定量的抗氧化剂组合物，该抗氧化剂组合物包括至少一种选自烷基化苯酚、受阻苯酚及其混合物的苯酚和至少一种取代的二芳基胺，其中苯酚与取代的二芳基胺的摩尔比大于 1:1。
• Stabilized compositions comprising leuco compounds
  申请人：Milliken & Company

  公开号：US11261403B2

  公开（公告）日：2022-03-01

  A composition comprising: (a) a leuco composition; and (b) a stabilizing amount of an antioxidant composition. The antioxidant composition comprises at least one sterically hindered phenol and at least one substituted diarylamine, and the mole ratio of the hindered phenol to the substituted diarylamine is greater than 1:1. In another embodiment, a composition comprises (a) a leuco composition and (b) an antioxidant composition; and optionally (c) a solvent composition. The combined mass of the leuco compounds and antioxidants present in the composition is 10% or more of the total mass of the composition, and (b) the molar ratio of antioxidants present in the composition to leuco compounds present in the composition is greater than 1:1.

  一种组合物，包括：(a)一种白蛋白组合物；和(b)一种稳定量的抗氧化剂组合物。抗氧化剂组合物包括至少一种立体受阻酚和至少一种取代的二芳基胺，受阻酚与取代的二芳基胺的摩尔比大于 1:1。在另一个实施方案中，组合物包括：(a) 白亮组合物和 (b) 抗氧化剂组合物；以及 (c) 溶剂组合物。组合物中存在的月桂化合物和抗氧化剂的总质量占组合物总质量的 10%或以上，且(b) 组合物中存在的抗氧化剂与组合物中存在的月桂化合物的摩尔比大于 1:1。
• Nickel-Catalyzed Synthesis of Diarylamines via Oxidatively Induced C–N Bond Formation at Room Temperature
  作者：Laurean Ilies、Tatsuaki Matsubara、Eiichi Nakamura

  DOI：10.1021/ol302688u

  日期：2012.11.2

  A nickel-catalyzed oxidative coupling of zinc amides with organomagnesium compounds selectively produces diarylamines under mild reaction conditions, with tolerance for chloride, bromide, hydroxyl, ester, and ketone groups. A diamine is bis-monoarylated. A bromoaniline undergoes N-arylation followed by Kumada-Tamao-Corriu coupling in one pot. The reaction may proceed via oxidatively induced reductive elimination of a nickel species.
• LEUCO COLORANTS AS BLUING AGENTS IN LAUNDRY CARE COMPOSITIONS
  申请人：The Procter & Gamble Company

  公开号：EP3830232A1

  公开（公告）日：2021-06-09