1-(4-methoxyphenyl)hexahydro-2H-azepin-2-one | 682351-66-2

• 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: 1-(4-methoxyphenyl)hexahydro-2H-azepin-2-one
• 英文别名: N-(4-methoxyphenyl)caprolactam；Hexahydro-1-(4-methoxyphenyl)-2H-azepin-2-one；1-(4-methoxyphenyl)azepan-2-one
• CAS: 682351-66-2
• 化学式: C₁₃H₁₇NO₂
• 分子量: 219.283
• InChiKey: BIGGKCBCQKACRF-UHFFFAOYSA-N

物化性质

• 沸点：
  433.9±28.0 °C(Predicted)
• 密度：
  1.096±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  己内酰胺 、 4-碘苯甲醚 在 potassium phosphate 、 copper(l) iodide 、 N,N'-二甲基乙二胺 作用下， 以 1,4-二氧六环 为溶剂， 反应 24.0h， 以99%的产率得到1-(4-methoxyphenyl)hexahydro-2H-azepin-2-one
  参考文献：
  名称：

  原金属化-碘化和N-芳基化反应合成N-芳基和N-杂芳基γ-，δ-和ε-内酰胺及其性能

  摘要：

  摘要 使用原位由MCl 2 ·TMEDA（M = Zn或Cd; TMEDA = N，N，N '，N'-四甲基乙二胺）制得的碱对吨酮，噻吨酮，芴酮，二苯甲酮，2-苯甲酰吡啶，二苯并呋喃和二苯并噻吩进行去质子化。如随后的碘解所证明的那样，以1：3的比例加入2,2,6,6-四甲基哌啶锂。不同的芳基卤化物作为氮的伙伴参与吡咯烷-2-酮的芳基化。在碘化亚铜（I）和磷酸三钾的存在下，并使用二甲基亚砜作为溶剂，该反应可以以40％至70％的产率进行。大多数产品都经过了抗微生物，抗真菌，抗氧化剂和细胞毒性（MCF-7）活性测试。 使用原位由MCl 2 ·TMEDA（M = Zn或Cd; TMEDA = N，N，N '，N'-四甲基乙二胺）制得的碱对吨酮，噻吨酮，芴酮，二苯甲酮，2-苯甲酰吡啶，二苯并呋喃和二苯并噻吩进行去质子化。如随后的碘解所证明的那样，以1：3的比例加入2,2,6,6-四甲基哌啶锂。不同的

  DOI：

  10.1055/s-0036-1590798

文献信息

• Efficacy of C-N Coupling Reactions with a New Multinuclear Copper Complex Catalyst and Its Dissociation into Mononuclear Species
  作者：Yan Zou、Haisheng Lin、Paul A. Maggard、Alexander Deiters

  DOI：10.1002/ejoc.201100399

  日期：2011.8

  A new tetranuclear copper(I)–pyridazine (pda)/rhenate hybrid has been synthesized under hydrothermal conditions and structurally characterized by X-ray crystallography. The activity of this catalyst, as well as its dissociation into mononuclear species, was investigated in homogeneous C–N arylation reactions. A variety of N-arylamides and -azoles were synthesized in good to excellent yields, revealing

  在水热条件下合成了一种新的四核铜（I）-哒嗪（pda）/铼酸盐杂化物，并通过 X 射线晶体学进行结构表征。在均相 C-N 芳基化反应中研究了该催化剂的活性，以及​​其离解成单核物质。合成了多种 N-芳基酰胺和 -唑类化合物，产率非常好，揭示了多核与单核 Cu 络合在此类偶联反应中的影响。
• RUBBER COMPOSITION AND PNEUMATIC TIRE
  申请人：Sumitomo Rubber Industries, Ltd.

  公开号：EP2597118A1

  公开（公告）日：2013-05-29

  The present invention provides a rubber composition that achieves a well-balanced improvement in fuel economy, wet-grip performance, and abrasion resistance, and a pneumatic tire formed from the rubber composition. The present invention relates to a rubber composition, including a rubber component and silica, wherein the rubber component contains not less than 5% by mass of a conjugated diene polymer, based on 100% by mass of the rubber component, the conjugated diene polymer containing a constituent unit derived from a conjugated diene and a constituent unit represented by the following formula (I): at least one terminal of the conjugated diene polymer being modified by a compound containing a group represented by the following formula (II): and wherein the silica is contained in an amount of 5 to 150 parts by mass per 100 parts by mass of the rubber component.

  本发明提供了一种在燃油经济性、湿抓地性能和耐磨性方面实现均衡改善的橡胶组合物，以及一种由该橡胶组合物制成的充气轮胎。本发明涉及一种橡胶组合物，包括橡胶组分和白炭黑，其中橡胶组分含有不少于 5%（以质量计）的共轭二烯聚合物（以橡胶组分 100%的质量计），共轭二烯聚合物含有由共轭二烯衍生的组成单元和由下式（I）表示的组成单元： 共轭二烯聚合物的至少一个末端被含有下式 (II) 所代表基团的化合物修饰： 其中白炭黑的含量为每 100 重量份橡胶成分中含 5 至 150 重量份。
• TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE
  申请人：Sumitomo Rubber Industries, Ltd.

  公开号：EP2857446A1

  公开（公告）日：2015-04-08

  Provided are a tread rubber composition that can achieve a balanced improvement in fuel economy, wet-grip performance, and abrasion resistance, and a pneumatic tire including the composition. The tread rubber composition includes: a rubber component; silica; and a silane-coupling agent containing a mercapto group, the rubber component including per 100% by mass thereof 5% by mass or more of a conjugated diene polymer (A), the polymer (A) including a monomer unit derived from a conjugated diene, a monomer unit derived from a compound of formula (1), and a monomer unit derived from a compound of formula (2), at least one end of the copolymer (A) being modified by the following compound (G) or an alkoxysilane compound, the composition including 5-150 parts by mass of the silica per 100 parts by mass of the rubber component, Compound (G): at least one compound selected from the group consisting of compounds containing an optionally-substituted amino group and a carbonyl group and compounds containing an optionally-substituted amino group and a thiocarbonyl group,         V1-S1     (1)         V2-A2     (2) wherein V1 and V2 each represent a hydrocarbyl group containing a polymerizable carbon-carbon double bond; S1 represents a substituted silyl group, and A2 represents a substituted amino group or a nitrogen-containing heterocyclic group.

  本文提供了一种可均衡改善燃油经济性、湿抓地性能和耐磨性的胎面橡胶组合物，以及一种包含该组合物的充气轮胎。胎面橡胶组合物包括橡胶成分；白炭黑和含有巯基的硅烷偶联剂，橡胶成分包括每 100% 质量中 5%（质量）或更多的共轭二烯聚合物 (A)，聚合物 (A) 包括衍生自共轭二烯的单体单元、衍生自式 (1) 化合物的单体单元和源自式（2）化合物的单体单元，共聚物（A）的至少一端由下列化合物（G）或烷氧基硅烷化合物改性，该组合物包括每 100 份（质量）橡胶成分中含 5-150 份（质量）二氧化硅的化合物（G）：至少一种选自以下组别的化合物：含有任选取代的氨基和羰基的化合物，以及含有任选取代的氨基和硫代羰基的化合物、 V1-S1 (1) V2-A2 (2) 其中 V1 和 V2 分别代表含有可聚合碳碳双键的烃基，S1 代表取代的硅烷基，A2 代表取代的氨基或含氮杂环基。
• Pneumatic tire
  申请人：SUMITOMO RUBBER INDUSTRIES, LTD.

  公开号：US10189987B2

  公开（公告）日：2019-01-29

  The present invention provides a pneumatic tire provided with a tread formed from a rubber composition that can achieve balanced improvements in fuel economy and wet-grip performance. The present invention relates to a pneumatic tire provided with a tread formed from a rubber composition, the rubber composition containing a rubber component, silica, and a specific silane coupling agent, the rubber component containing, based on 100% by mass of the rubber component, not less than 5% by mass of a conjugated diene polymer containing a constituent unit based on a conjugated diene and a specific constituent unit, at least one terminal of the polymer being modified with a specific compound, the rubber composition containing the silica in an amount of 5 to 150 parts by mass relative to 100 parts by mass of the rubber component.

  本发明提供了一种充气轮胎，其胎面由橡胶组合物形成，可实现燃油经济性和湿抓地性能的平衡改善。本发明涉及一种充气轮胎，其胎面由橡胶组合物形成，橡胶组合物含有橡胶成分、白炭黑和特定硅烷偶联剂，橡胶成分含有（以橡胶成分的质量百分比计）不小于 5%的共轭二烯聚合物，该共轭二烯聚合物含有（以橡胶成分的质量百分比计）不小于 5%的硅烷偶联剂、质量不少于 5%的共轭二烯聚合物，该聚合物含有基于共轭二烯和特定组成单元的组成单元，该聚合物的至少一个末端被特定化合物改性，相对于 100 重量份的橡胶成分，该橡胶成分含有 5 至 150 重量份的白炭黑。
• Amino acid-mediated Goldberg reactions between amides and aryl iodides
  作者：Wei Deng、Ye-Feng Wang、Yan Zou、Lei Liu、Qing-Xiang Guo

  DOI：10.1016/j.tetlet.2004.01.119

  日期：2004.3

  A highly general, experimentally simple, and inexpensive catalyst system was developed for the amidation of aryl iodides by using 5 mol% of CuI as catalyst, 20 mol% of an amino acid as ligand, and K3PO4 as base. (C) 2004 Elsevier Ltd. All rights reserved.