4-(diethylcarbamoyl)phenyltrimethylammonium triflate | 1469537-95-8

• 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: 4-(diethylcarbamoyl)phenyltrimethylammonium triflate
• CAS: 1469537-95-8
• 化学式: CF₃O₃S*C₁₄H₂₃N₂O
• 分子量: 384.42
• InChiKey: MJSQXQQCGITCSK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.42
• 重原子数：
  25.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  77.51
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  苯并恶唑 、 4-(diethylcarbamoyl)phenyltrimethylammonium triflate 在 bis(η3-allyl-μ-chloropalladium(II)) 、 sodium t-butanolate 、 三环己基膦 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以86%的产率得到4-(benzoxazol-2-yl)-N,N-diethylbenzamide
  参考文献：
  名称：

  Palladium-Catalyzed C–H Arylation of (Benzo)oxazoles or (Benzo)thiazoles with Aryltrimethylammonium Triflates

  摘要：

  The C-H arylation of (benzo)oxazoles or (benzo)thiazoles with aryltrimethylammonium triflates was carried out via Pd-catalyzed C-H/C-N cleavage. Oxazoles, thiazoles, benzoxazole, and benzothiazole were arylated using activated and deactivated aryltrimethylamrnonium triflates to give 2-aryl(benzo)oxazoles or 2-aryl(benzo)thiazoles in reasonable to excellent yields.

  DOI：

  10.1021/acs.orglett.5b02458
• 作为产物：
  描述：

  4-(dimethylamino)-N,N-diethylbenzamide 、 三氟甲烷磺酸甲酯 以 二氯甲烷 为溶剂， 反应 4.0h， 以93%的产率得到4-(diethylcarbamoyl)phenyltrimethylammonium triflate
  参考文献：
  名称：

  Iron-catalyzed cross-coupling of aryltrimethylammonium triflates and alkyl Grignard reagents

  摘要：

  Fe(acac)(3) effectively catalyzes reaction of aryltrimethylammonium triflates with beta-hydrogen-containing primary or secondary alkyl Grignard reagents in a mixed solvent of THF and NMP at room temperature. A series of functional groups are tolerated under the reaction conditions. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.09.039

文献信息

• Nickel-catalyzed cross-coupling of aryltrimethylammonium triflates and amines
  作者：Xue-Qi Zhang、Zhong-Xia Wang

  DOI：10.1039/c3ob41989d

  日期：——

  Nickel-catalyzed cross-coupling of aryltrimethylammonium triflates and amines was carried out under mild conditions. The reaction has a broad scope of substrates and can be performed by a one-pot procedure from an aryldimethylamine.

  在温和条件下，通过镍催化实现了芳基三甲基铵三氟甲磺酸盐与胺的交叉偶联反应。该反应对底物具有广泛的适用性，并且可以从二甲基芳胺通过一步法实现。