N-(Diphenylacetyl)-thiobenzamid | 58004-69-6

• 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-(Diphenylacetyl)-thiobenzamid
• 英文别名: N-(benzenecarbonothioyl)-2,2-diphenylacetamide
• CAS: 58004-69-6
• 化学式: C₂₁H₁₇NOS
• 分子量: 331.438
• InChiKey: RAUKTYJMOSXNKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  61.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(Diphenylacetyl)-thiobenzamid 、 2-(trimethylsilyl)-1,3-phenylene bis(trifluoromethanesulfonate) 在 18-冠醚-6 、 potassium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 反应 12.0h， 以50%的产率得到2-苯基苯并噻唑
  参考文献：
  名称：

  Domino Aryne Precursor: Efficient Construction of 2,4-Disubstituted Benzothiazoles

  摘要：

  An aryne precursor with a potential to perform domino aryne chemistry was proposed and synthesized. The reaction of this reagent with benzothioamide derivatives could afford 2,4-disubstituted benzothiazole with sequential incorporation of C-S, C-N, and C-C bonds on the consecutive three positions of the aryne precursor.

  DOI：

  10.1021/jacs.5b02566
• 作为产物：
  描述：

  苯甲腈 在 吡啶 、 4-二甲氨基吡啶 、 tetraphosphorus decasulfide 作用下， 以 乙醇 、 乙腈 为溶剂， 生成 N-(Diphenylacetyl)-thiobenzamid
  参考文献：
  名称：

  Domino Aryne Precursor: Efficient Construction of 2,4-Disubstituted Benzothiazoles

  摘要：

  An aryne precursor with a potential to perform domino aryne chemistry was proposed and synthesized. The reaction of this reagent with benzothioamide derivatives could afford 2,4-disubstituted benzothiazole with sequential incorporation of C-S, C-N, and C-C bonds on the consecutive three positions of the aryne precursor.

  DOI：

  10.1021/jacs.5b02566

文献信息

• BEHRINGER H.; RAMERT R., J. LIEBIGS ANN. CHEM. <JLAC-BF>, 1975, NO 7-8, 1264-1271
  作者：BEHRINGER H.、 RAMERT R.

  DOI：——

  日期：——
• CARBAMIC ACID DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS
  申请人：F. Hoffmann-La Roche AG

  公开号：EP1171423B1

  公开（公告）日：2005-01-12
• Domino Aryne Precursor: Efficient Construction of 2,4-Disubstituted Benzothiazoles
  作者：Jiarong Shi、Dachuan Qiu、Juan Wang、Hai Xu、Yang Li

  DOI：10.1021/jacs.5b02566

  日期：2015.5.6

  An aryne precursor with a potential to perform domino aryne chemistry was proposed and synthesized. The reaction of this reagent with benzothioamide derivatives could afford 2,4-disubstituted benzothiazole with sequential incorporation of C-S, C-N, and C-C bonds on the consecutive three positions of the aryne precursor.