N-allyl-N-benzyl-N,N-dimethylammonium iodide | 27701-36-6

• 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-allyl-N-benzyl-N,N-dimethylammonium iodide
• 英文别名: allyl-benzyl-dimethyl-ammonium; iodide；Allyl-benzyl-dimethyl-ammonium; Jodid；Benzyl-dimethyl-prop-2-enylazanium;iodide
• CAS: 27701-36-6
• 化学式: C₁₂H₁₈N*I
• 分子量: 303.186
• InChiKey: OWSINZMKKKSRKR-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.55
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  7,7,8,8-四氰基对苯二醌二甲烷 、 N-allyl-N-benzyl-N,N-dimethylammonium iodide 生成 benzyl-dimethyl-prop-2-enylazanium;2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile
  参考文献：
  名称：

  CHEN, CHIA-TIEN;FINKELSTEIN, MANUEL;HART, SHIRLEY A.;HUTCHINS, GUDRUN A.;+, SYNTH. METALS , 30,(1989) N, C. 327-334

  摘要：

  DOI：
• 作为产物：
  描述：

  N-benzyl-2-(bromomethyl)aziridine 、 碘甲烷 以 乙醚 为溶剂， 反应 15.0h， 以85%的产率得到N-allyl-N-benzyl-N,N-dimethylammonium iodide
  参考文献：
  名称：

  Synthesis of quaternary allylammonium salts via ring opening of 1-benzyl-2-(bromomethyl)aziridines

  摘要：

  Treatment of 1-benzyl-2-(bromomethyl)aziridine, and some aryl substituted analogues, with an excess of iodomethane resulted in N-allyl-N-benzyl-N,N-dimethylammonium salts, in good yields. These quaternary allylammonium salts are of importance in different fields, from organic synthesis and polymeric chemistry to agricultural use. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(03)00771-3

文献信息

• The Electrochemical Degradation of Quaternary Ammonium Salts¹
  作者：Manuel Finkelstein、Raymond C. Petersen、Sidney D. Ross

  DOI：10.1021/ja01519a022

  日期：1959.5
• CHEN, CHIA-TIEN;FINKELSTEIN, MANUEL;HART, SHIRLEY A.;HUTCHINS, GUDRUN A.;+, SYNTH. METALS , 30,(1989) N, C. 327-334
  作者：CHEN, CHIA-TIEN、FINKELSTEIN, MANUEL、HART, SHIRLEY A.、HUTCHINS, GUDRUN A.、+

  DOI：——

  日期：——
• ANTIVIRAL COMPOSITIONS CONTAINING A COMBINATION OF AN IODIDE OF DIMETHYLBENZYLALKYLAMMONIUM WITH AN IODIDE OF A QUATERNARY AMMONIUM AMIDE
  申请人：Garcia Nunez, Maria Rosalia

  公开号：EP0661048B1

  公开（公告）日：2000-12-27
• US5783604A
  申请人：——

  公开号：US5783604A

  公开（公告）日：1998-07-21
• Synthesis of quaternary allylammonium salts via ring opening of 1-benzyl-2-(bromomethyl)aziridines
  作者：Matthias D'hooghe、Willem Van Brabandt、Norbert De Kimpe

  DOI：10.1016/s0040-4020(03)00771-3

  日期：2003.7

  Treatment of 1-benzyl-2-(bromomethyl)aziridine, and some aryl substituted analogues, with an excess of iodomethane resulted in N-allyl-N-benzyl-N,N-dimethylammonium salts, in good yields. These quaternary allylammonium salts are of importance in different fields, from organic synthesis and polymeric chemistry to agricultural use. (C) 2003 Elsevier Science Ltd. All rights reserved.