N-(1-propylbutyl)aniline | 82850-31-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-(1-propylbutyl)aniline
• 英文别名: N-4-Heptylaniline；N-(heptan-4-yl)aniline；N-heptan-4-ylaniline
• CAS: 82850-31-5
• 化学式: C₁₃H₂₁N
• 分子量: 191.316
• InChiKey: RRMGNBDOZPEPJL-UHFFFAOYSA-N

物化性质

• 沸点：
  96-99 °C(Press: 0.1 Torr)
• 密度：
  0.918±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  N-(1-Propylbutyliden)benzolamin 在 bis(η5-cyclopentadinyl)dihydridomolybdenum 作用下， 以 甲醇 为溶剂， 反应 72.0h， 以48%的产率得到N-(1-propylbutyl)aniline
  参考文献：
  名称：

  Reduction of Imines to Amines through Use of the Cp₂MoH₂and Protonic Acid System

  摘要：

  在温和的条件下，钼二酸酐 Cp2MoH2 可以方便地将亚胺还原成相应的胺，而且收率很高。在有酮存在的情况下，只有亚胺被还原，酮被定量回收。

  DOI：

  10.1246/cl.1995.647

文献信息

• Chemoselective Reductive Amination of Aldehydes and Ketones by Dibutylchlorotin Hydride-HMPA Complex
  作者：Toshihiro Suwa、Erika Sugiyama、Ikuya Shibata、Akio Baba

  DOI：10.1055/s-2000-6273

  日期：——

  Reductive amination of various aldehydes and ketones has been performed effectively by pentacoordinate chloro-substituted tin hydride complex, Bu2SnClH-HMPA. The tin reagent worked particularly well for the case using weakly basic aromatic amines as starting substrates. Stoichiometric amounts of a substrate and a reducing agent were adequate for the reaction. The Sn-Cl bond in the complex plays an

  通过五配位氯取代的氢化锡络合物 Bu2SnClH-HMPA 可以有效地进行各种醛和酮的还原胺化。锡试剂在使用弱碱性芳香胺作为起始底物的情况下效果特别好。化学计量量的底物和还原剂足以进行反应。配合物中的 Sn-Cl 键在亚胺形成和随后的还原两个步骤中都起着重要作用。无论起始羰基和胺中的其他官能团如卤素、碳-碳双键和羟基如何，都可以实现羰基的高度化学选择性还原。
• Polymer-Supported Hantzsch 1,4-Dihydropyridine Ester: An Efficient Biomimetic Hydrogen Source for the Reduction of Ketimines and Electron-Withdrawing Group Conjugated Olefins
  作者：Jun Che、Yulin Lam

  DOI：10.1002/adsc.201000093

  日期：——

  A polymer‐supported Hantzsch 1,4‐dihydropyridine ester was observed to be a useful selective reducing agent for the reduction of ketimines and electron‐withdrawing conjugated olefins. The rate of the reduction of electron‐withdrawing conjugated olefins is dependent on the nature of the conjugated substituents and could be enhanced by microwave irradiation. The reduction of (Z)‐α‐cyano‐β‐bromomethylcinnamates

  观察到聚合物支持的Hantzsch 1,4-二氢吡啶酯是用于还原酮亚胺和吸电子共轭烯烃的有用的选择性还原剂。吸电子共轭烯烃的还原速率取决于共轭取代基的性质，可以通过微波辐射来提高。发现使用聚合物负载的Hantzsch 1,4-二氢吡啶酯将（Z）-α-氰基-β-溴甲基肉桂酸酯还原为环丙烷衍生物可以立体选择性地进行且收率很高。
• Trianions derived from secondary amines
  作者：José A. Barluenga、Jorge Villamaña、Francisco J. Fañanás、Miguel Yus

  DOI：10.1039/c39820000355

  日期：——

  New β-substituted homo- and hetero-metallic trianions of the type C (Ph) with alkali metal cations (Li, Na, and K) are obtained from β-substituted organomercury compounds via low temperature mercury–alkali metal transmetallation; the lithiated trianion reacts regioselectively at both carbanionic carbon atoms with electrophilic agents such as D2O, EtBr, Me2S2, and Me3SiCl.

  新β取代的均聚物和所述类型的杂金属抗衡三C（PH）用碱金属阳离子（锂，钠，和K）从得到的β -取代的有机汞化合物经由低温汞碱金属金属转移; 锂化的三价阴离子在两个碳负离子碳原子上与亲电子试剂（例如D 2 O，EtBr，Me 2 S 2和Me 3 SiCl）发生区域选择性反应。
• Organic lectroluminescent element
  申请人：IDEMITSU KOSAN COMPANY LIMITED

  公开号：EP1775335A2

  公开（公告）日：2007-04-18

  Materials for organic electroluminescence devices and organic electroluminescence devices which exhibit high efficiency of light emission and have a long life and excellent heat resistance, novel compounds and processes for producing the materials for organic electroluminescence devices are provided. The material for organic electroluminescence devices is represented by following general formula [1]: wherein A represents a substituted or unsubstituted arylene group having 22 to 60 carbon atoms, X1 to X4 each independently represent a substituted or unsubstituted arylene group having 6 to 30 carbon atoms, X1 and X2 may be bonded to each other, X3 and X4 may be bonded to each other, Y1 to Y4 each independently represent an organic group represented by general formula [2], a to d each represent an integer of 0 to 2 and, when the arylene group represented by A has 26 or less carbon atoms, a+b+c+d>0 and the arylene group does not contain two or more anthracene nucleus; general formula [2] being: wherein R1 to R4 each independently represent hydrogen atom, a substituted or unsubstituted alkyl group having 1 to 20 carbon atoms, a substituted or unsubstituted aryl group having 6 to 20 carbon atoms, cyano group or form a triple bond by a linkage of R1 and R2 or R3 and R4, Z represents a substituted or unsubstituted aryl group having 6 to 20 carbon atoms and n represents 0 or 1.

  本发明提供了有机电致发光器件材料和有机电致发光器件，这些材料和器件发光效率高、寿命长、耐热性能优异，还提供了新型化合物和生产有机电致发光器件材料的工艺。 有机电致发光器件材料由以下通式[1]表示： 其中 A 代表具有 22 至 60 个碳原子的取代或未取代芳基，X1 至 X4 各自独立地代表具有 6 至 30 个碳原子的取代或未取代芳基，X1 和 X2 可以相互键合，X3 和 X4 可以相互键合、Y1至Y4各自独立地代表通式[2]所代表的有机基团，a至d各自代表0至2的整数，当A所代表的芳烯基团具有26个或更少的碳原子时，a+b+c+d>0，且芳烯基团不包含两个或更多的蒽核； 通式[2]为 其中 R1 至 R4 各自独立地代表氢原子、具有 1 至 20 个碳原子的取代或未取代的烷基、具有 6 至 20 个碳原子的取代或未取代的芳基、氰基或通过 R1 和 R2 或 R3 和 R4 的连接形成三键，Z 代表具有 6 至 20 个碳原子的取代或未取代的芳基，n 代表 0 或 1。
• PYRIDAZINONE DERIVATIVE
  申请人：Sumitomo Dainippon Pharma Co., Ltd.

  公开号：EP3828174A1

  公开（公告）日：2021-06-02

  Provided are: a pyridazinone derivative and/or a pharmaceutically acceptable salt thereof, which is useful as a therapeutic agent and/or a prophylactic agent for diseases in which Nav1.1 is involved and various central nervous system diseases; and a medicine containing the pyridazinone derivative and/or the pharmaceutically acceptable salt thereof as an active ingredient. A compound represented by formula (1) or a pharmaceutically acceptable salt thereof. [In the formula, M1 represents a saturated or partially unsaturated C4-12 carbocyclic group or the like; R1 and R2 independently represent a hydrogen atom or the like; M2 represents a group represented by formula (2a) or the like; X1a, X1b and X1c independently represent N or the like; X2, X3 and X4 independently represent CR3 or the like; A1 and A2 independently represent N or the like; and R3 represents a hydrogen atom or the like.]

  提供了：一种哒嗪酮衍生物和/或其药学上可接受的盐，可用作 Nav1.1 参与的疾病和各种中枢神经系统疾病的治疗剂和/或预防剂；以及一种含有该哒嗪酮衍生物和/或其药学上可接受的盐作为活性成分的药物。由式（1）代表的化合物或其药学上可接受的盐。 [式中，M1 代表饱和或部分不饱和的 C4-12 碳环基团或类似物；R1 和 R2 独立地代表氢原子或类似物；M2 代表式 (2a) 所代表的基团或类似物；X1a、X1b 和 X1c 独立地代表 N 或类似物；X2、X3 和 X4 独立地代表 CR3 或类似物；A1 和 A2 独立地代表 N 或类似物；以及 R3 代表氢原子或类似物。］