(E)-1-(3-(4-chlorophenyl)allyl)-4-methylpiperazine | 1152652-36-2

• 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: (E)-1-(3-(4-chlorophenyl)allyl)-4-methylpiperazine
• 英文别名: 1-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methylpiperazine
• CAS: 1152652-36-2
• 化学式: C₁₄H₁₉ClN₂
• 分子量: 250.771
• InChiKey: JOGNGXCJYASPOF-NSCUHMNNSA-N

物化性质

• 沸点：
  363.7±37.0 °C(predicted)
• 密度：
  1.104±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-甲基哌嗪 、 1-(4-chlorophenyl)allyl acetate 在 四丁基溴化铵 、 potassium carbonate 、 palladium dichloride 作用下， 以 甲苯 为溶剂， 反应 4.5h， 以88%的产率得到(E)-1-(3-(4-chlorophenyl)allyl)-4-methylpiperazine
  参考文献：
  名称：

  Palladium Nanoparticle-Catalyzed C−N Bond Formation. A Highly Regio- and Stereoselective Allylic Amination by Allyl Acetates

  摘要：

  Palladium nanoparticles, generated in situ from the reaction of palladium(II) chloride, have been demonstrated to be an efficient catalyst for C-N bond formation. A variety of aliphatic and aromatic amines have been allylated by substituted and unsubstituted allyl acetates in high yields by using palladium nanoparticles in the presence of a base without any ligand. The allylations are highly regio- and stereoselective.

  DOI：

  10.1021/jo9003037

文献信息

• Tsuji-Trost<i>N</i>-Allylation with Allylic Acetates by Using a Cellulose-Palladium Catalyst
  作者：Buchi Reddy Vaddula、Amit Saha、Rajender S. Varma、John Leazer

  DOI：10.1002/ejoc.201201241

  日期：2012.12

  Allylic amines were synthesized by a simple procedure using a biodegradable and easily recyclable heterogeneous cellulose–Pd catalyst through N-allylation of primary and secondary amines. The scope of this protocol includes aliphatic and benzylamines with substituted and unsubstituted allyl acetates and culminates in high yield syntheses. The highlights of the protocol include a ligand-free reaction

  通过伯胺和仲胺的 N-烯丙基化，使用可生物降解且易于回收的多相纤维素-钯催化剂，通过简单的程序合成烯丙胺。该协议的范围包括具有取代和未取代的乙酸烯丙酯的脂肪族和苄胺，并以高产合成告终。该协议的亮点包括无配体反应、简单的处理和催化剂可回收性。
• 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis
  申请人：Tsubouchi Hidetsugu

  公开号：US20080119478A1

  公开（公告）日：2008-05-22

  The present invention provides a 2,3-dihydro-6-nitroimidazo[2,1-b]oxazole compound represented by the following general formula: (1) in the above formula (1), R1 represents a hydrogen atom or C1-C6 alkyl group, n represents an integer of 0 to 6, R1 and —(CH2) n R2 may form a spiro ring represented by the formula (30) below, together with the adjacent carbon atom (in the formula below, RRR represents a piperidyl group which may have substituents on the piperidine ring), (30) and R2 represents a benzothiazolyloxy group, quinolyloxy group, pyridyloxy group or the like. The present compound has an excellent bactericidal action against Mycobacterium tuberculosis , multi-drug-resistant Mycobacterium tuberculosis , and atypical acid-fast bacteria.

  本发明提供了一种由下述通式（1）表示的2,3-二氢-6-硝基咪唑[2,1-b]噁唑化合物： 在上述式（1）中，R1代表氢原子或C1-C6烷基，n代表0到6的整数，R1和—(CH2)nR2可以与相邻的碳原子形成如下式（30）所示的螺环，其中，在下式中，RRR代表可能在哌啶环上具有取代基的哌啶基： （30）且R2代表苯并噻唑氧基、喹啉氧基、吡啶氧基或类似基团。该化合物对结核分枝杆菌、多重耐药结核分枝杆菌和非典型酸杆菌具有优异的杀菌作用。
• 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP1678185B1

  公开（公告）日：2008-10-08
• US8163753B2
  申请人：——

  公开号：US8163753B2

  公开（公告）日：2012-04-24
• Palladium Nanoparticle-Catalyzed C−N Bond Formation. A Highly Regio- and Stereoselective Allylic Amination by Allyl Acetates
  作者：Laksmikanta Adak、Kalicharan Chattopadhyay、Brindaban C. Ranu

  DOI：10.1021/jo9003037

  日期：2009.5.15

  Palladium nanoparticles, generated in situ from the reaction of palladium(II) chloride, have been demonstrated to be an efficient catalyst for C-N bond formation. A variety of aliphatic and aromatic amines have been allylated by substituted and unsubstituted allyl acetates in high yields by using palladium nanoparticles in the presence of a base without any ligand. The allylations are highly regio- and stereoselective.