3-octylaniline | 118198-99-5

• 物质功能分类: 有机原料 - 氨基化合物 - 环烷胺、芳香单胺、芳香多胺及其衍生物和盐
• 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: 3-octylaniline
• CAS: 118198-99-5
• 化学式: C₁₄H₂₃N
• 分子量: 205.343
• InChiKey: OBNZIMFKLILQCF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  15
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-octylaniline 在 吡啶 、 正丁基锂 、 偶氮二甲酸二异丙酯 、 polymer-bound PPh₃ 、 二苯基膦叠氮化物 、 三苯基膦 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 为溶剂， 反应 47.25h， 生成 {3-azido-4-[(3-octylphenyl)(4-methylphenylsulfonyl)amino]butyl}phosphonic acid diethyl ester
  参考文献：
  名称：

  Synthesis and biological evaluation of γ-aminophosphonates as potent, subtype-selective sphingosine 1-phosphate receptor agonists and antagonists

  摘要：

  The synthesis of N-arylamide phosphonates and related arylether and arylamine analogues provided potent, subtype-selective agonists and antagonists of the five known sphingosine I-phosphate (SIP) receptors (S1P(1-5)). To this end, the syntheses of phosphoserine mimetics-selectively protected and optically active phosphonoserines-are described. In vitro binding assays showed that the implementation of phosphonates as phosphate mimetics provided compounds with similar receptor binding affinities as compared to their phosphate precursors. meta-substituted arylamide phosphonates were discovered to be antagonists of the S1P(1) and S1P(3) receptors. When administered to mice, an antagonist blocked the lymphopenia evoked by a SIP receptor agonist and caused capillary leakage in both lung and kidney. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.10.060
• 作为产物：
  描述：

  间溴硝基苯 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 palladium 10% on activated carbon 、 氢气 、 三乙胺 作用下， 以 甲醇 为溶剂， 60.0 ℃ 、400.01 kPa 条件下， 生成 3-octylaniline
  参考文献：
  名称：

  N取代的氨基糖衍生物的合成及其免疫抑制活性的评估

  摘要：

  重要的是找到更有效，更安全的免疫抑制剂，因为临床上使用的免疫抑制剂具有明显的副作用。设计并合成了一系列N取代的亚氨基糖衍生物，并通过CCK-8分析法评估了它们的免疫抑制作用。结果显示亚氨基糖10 e和10 i，即（3 R，4 S）-1-（4-庚氧基氧基苯基乙基）吡咯烷-3,4-二醇和（3 R，4 S）-1- [2- （2-氯-4-（p -tolylthio） -苯基-1-基）乙基]吡咯烷-3,4-二醇，分别表现出对小鼠脾细胞增殖的最强的抑制作用（IC 50 = 2.16和2.48μ米分别），而在亲水头附近（化合物10 j – n）含有酰胺基的亚氨基糖则没有抑制作用。进一步的研究表明，对脾细胞增殖的抑制作用可能来自抑制IFN-γ和IL-4细胞因子。我们的结果表明合成的亚氨基糖，特别是化合物10e中和10 I，保持电位免疫抑制剂。

  DOI：

  10.1002/cmdc.201700706

文献信息

• Functional Group Tolerant Kumada−Corriu−Tamao Coupling of Nonactivated Alkyl Halides with Aryl and Heteroaryl Nucleophiles: Catalysis by a Nickel Pincer Complex Permits the Coupling of Functionalized Grignard Reagents
  作者：Oleg Vechorkin、Valérie Proust、Xile Hu

  DOI：10.1021/ja9027378

  日期：2009.7.22

  A nickel(II) pincer complex [((Me)NN(2))NiCl] (1) catalyzes Kumada-Corriu-Tamao cross coupling of nonactivated alkyl halides with aryl and heteroaryl Grignard reagents. The coupling of octyl bromide with phenylmagnesium chloride was used as a test reaction. Using 3 mol % of 1 as the precatalyst and THF as the solvent, and in the presence of a catalytic amount of TMEDA, the coupling product was obtained

  镍 (II) 钳形复合物 [((Me)NN(2))NiCl] (1) 催化未活化的卤代烷与芳基和杂芳基格氏试剂的 Kumada-Corriu-Tamao 交叉偶联。辛基溴与苯基氯化镁的偶联用作测试反应。以3mol%的1为预催化剂，THF为溶剂，在催化量的TMEDA存在下，以高收率得到偶联产物。该反应条件可用于其他伯和仲烷基溴化物和碘化物的交叉偶联。该偶联可耐受范围广泛的官能团。因此，将含有酯、酰胺、醚、硫醚、醇、吡咯、吲哚、呋喃、腈、共轭烯酮和芳基卤部分的卤代烷进行偶联，以得到高分离产率的产品，其中这些单元保持完整。对于含酯底物的偶联，O-TMEDA 是比 TMEDA 更好的添加剂。该反应方案被证明对于 Knochel 型官能化格氏试剂的偶联是有效的。因此，含有缺电子和/或敏感酯、腈、酰胺和 CF(3) 取代基的芳基格氏试剂可以成功地偶联到未活化和功能化的烷基碘。该催化还可以有效地将烷基碘
• ELECTROACTIVE MATERIALS
  申请人：ZHANG CHI

  公开号：US20110095269A1

  公开（公告）日：2011-04-28

  A compound having Formula I, Formula II, or Formula III: Ar 1 may independently be phenylene, substituted phenylene, naphthylene, or substituted naphthylene. Ar 2 is the same or different at each occurrence and is an aryl group. M is the same or different at each occurrence and is a conjugated moiety. T 1 and T 2 are independently the same or different at each occurrence and are conjugated moieties which are connected in a non-planar configuration; a and e are the same or different at each occurrence and are an integer from 1 to 6; b, c, and d are mole fractions such that b+c+d=1.0, with the proviso that c is not zero, and at least one of b and d is not zero, and when b is zero, M has at least two triarylamine units; and n is an integer greater than 1.

  具有化学式I、化学式II或化学式III的化合物：Ar1可以独立地是苯基、取代苯基、萘基或取代萘基。Ar2在每次出现时相同或不同，是芳基。M在每次出现时相同或不同，是一个共轭基团。T1和T2在每次出现时独立且相同或不同，是连接在非平面构型中的共轭基团；a和e在每次出现时相同或不同，是从1到6的整数；b、c和d是摩尔分数，使得b+c+d=1.0，但c不为零，并且至少有一个b和d不为零，当b为零时，M至少具有两个三芳基胺基团；n是大于1的整数。
• Pigment dispersion, method for manufacturing toner, aqueous ink, and triazo compound
  申请人：CANON KABUSHIKI KAISHA

  公开号：US10678156B2

  公开（公告）日：2020-06-09

  A pigment dispersion has low viscosity and good dispersion property without depending on pigment species. The pigment dispersion contains a dispersion medium, an organic pigment, and a triazo compound having a specific structure.

  一种颜料分散剂具有低粘度和良好的分散性能，不依赖于颜料种类。该颜料分散剂包含分散介质、有机颜料和具有特定结构的三唑化合物。
• INHIBITORS OF SPHINGOSINE KINASE 1
  申请人：Xiang Yibin

  公开号：US20110275673A1

  公开（公告）日：2011-11-10

  The invention relates to compounds of Formula (I). Compounds of the present invention are inhibitors of sphingosine kinase 3, and are useful in the treatment of various disorders and conditions, such as inflammatory disorders.

  本发明涉及公式（I）的化合物。本发明的化合物是鞘氨醇激酶3的抑制剂，并且在治疗各种疾病和病况，例如炎症性疾病方面非常有用。
• SUBSTITUTED BENZOCHALCOGENOACENE COMPOUND, THIN FILM COMPRISING THE COMPOUND, AND ORGANIC SEMICONDUCTOR DEVICE INCLUDING THE THIN FILM
  申请人：Miyata Yasuo

  公开号：US20120190868A1

  公开（公告）日：2012-07-26

  Provided are a novel compound suitable as an organic semiconductor material, the compound being a substituted benzochalcogenoacene compound represented by the formula (1), a thin film comprising the compound, and an organic semiconductor device having the thin film as a component. In the formula (1), each E independently represents a sulfur or selenium atom, and R 1 and R 2 each independently represents a hydrogen atom, an optionally substituted C 4-30 alkyl group, an optionally substituted C 4-30 alkoxy group, an optionally substituted C 6-30 aryl group, an optionally substituted C 7-30 aralkyl group, an optionally substituted C 4-30 heteroaryl group, an optionally substituted C 5-30 heteroaralkyl group, or an optionally fluorinated C 3-30 trialkylsilyl group, both R 1 and R 2 being not hydrogen atoms.

  提供了一种新型化合物，适用于有机半导体材料，该化合物是由式（1）表示的取代苯基硫属或硒属芴化合物，还包括该化合物的薄膜以及将该薄膜作为组件的有机半导体器件。在式（1）中，每个E分别表示硫或硒原子，R1和R2各自独立地表示氢原子、可选取代的C4-30烷基、可选取代的C4-30烷氧基、可选取代的C6-30芳基、可选取代的C7-30芳基烷基、可选取代的C4-30杂环芳基、可选取代的C5-30杂环芳基烷基或可选氟化的C3-30三取代硅烷基，R1和R2均不是氢原子。