N,N-dimethyl-N′-(tritylcarbamothioyl)formimidamide | 910297-67-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: N,N-dimethyl-N′-(tritylcarbamothioyl)formimidamide
• 英文别名: N,N-dimethyl-N'-(tritylcarbamothioyl)formimidamide；1-(dimethylaminomethylidene)-3-tritylthiourea
• CAS: 910297-67-5
• 化学式: C₂₃H₂₃N₃S
• 分子量: 373.522
• InChiKey: YTUUCAFBLKFHBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  59.7
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N,N-dimethyl-N′-(tritylcarbamothioyl)formimidamide 、 苯胺 在 三乙胺 、 mercury dichloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以65%的产率得到N,N-dimethyl-N'-(N-phenyl-N'-tritylcarbamimidoyl)formimidamide
  参考文献：
  名称：

  A convenient synthesis of di- and trisubstituted 2-aminoimidazoles from 1-amidino-3-trityl-thioureas

  摘要：

  Convenient synthesis of 2-amino-1,5-disubstituted and 2-amino-1,4,5-trisubstituted imidazoles has been reported using readily available starting materials and simple reagents under mild conditions. Guanylation of 1-amidino-3-trityl-thioureas 1 and 7 using mercury(II) chloride (Caution) as a thiophile resulted in corresponding guanidines 2 and 8 which on reaction with alpha-bromo ketones yielded 2-tritylaminoimidazoles. Deprotection of 2-tritylaminoimidazoles using trifluoroacetic acid at room temperature furnished desired 2-aminoimidazoles 4 and 10 in good to moderate yields. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.04.083
• 作为产物：
  描述：

  Dimethylaminomethylen-thioharnstoff 、 异硫氰酸三苯基甲基酯 以 四氢呋喃 为溶剂， 以79%的产率得到N,N-dimethyl-N′-(tritylcarbamothioyl)formimidamide
  参考文献：
  名称：

  Investigations on substituted (2-aminothiazol-5-yl)(imidazo[1,2-a]pyridin-3-yl)methanones for the treatment of Alzheimer’s disease

  摘要：

  DOI：

  10.1016/j.bmc.2021.116091

文献信息

• PROCESS FOR PREPARING N-(2-CHLORO-6-METHYLPHENYL)-2-[[6-[4-(2-HYDROXYETHYL)-1-PIPERAZINYL]-2-METHYL-4-PYRIMIDINYL]AMINO] -5-THIAZOLECARBOXAMIDE AND RELATED METABOLITES THEREOF
  申请人：Sun Jung-Hui

  公开号：US20070219370A1

  公开（公告）日：2007-09-20

  The present invention is directed to process for the preparation of metabolites as well as the parent compound of N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl] amino]-5-thiazolecarboxamide, the compound of formula (I).

  本发明涉及一种制备代谢物及N-(2-氯-6-甲基苯基)-2-[[6-[4-(2-羟乙基)-1-哌嗪基]-2-甲基-4-嘧啶基]氨基]-5-噻唑羧酰胺的母体化合物的方法，该化合物的化学式为(I)。
• Investigations on substituted (2-aminothiazol-5-yl)(imidazo[1,2-a]pyridin-3-yl)methanones for the treatment of Alzheimer’s disease
  作者：Sneha R. Sagar、Devendra Pratap Singh、Rajesh D. Das、Nirupa B. Panchal、Vasudevan Sudarsanam、Manish Nivsarkar、Kamala K. Vasu

  DOI：10.1016/j.bmc.2021.116091

  日期：2021.4
• A convenient synthesis of di- and trisubstituted 2-aminoimidazoles from 1-amidino-3-trityl-thioureas
  作者：Jitendra C. Kaila、Arshi B. Baraiya、Amit N. Pandya、Hitesh B. Jalani、Kamala K. Vasu、V. Sudarsanam

  DOI：10.1016/j.tetlet.2009.04.083

  日期：2009.7

  Convenient synthesis of 2-amino-1,5-disubstituted and 2-amino-1,4,5-trisubstituted imidazoles has been reported using readily available starting materials and simple reagents under mild conditions. Guanylation of 1-amidino-3-trityl-thioureas 1 and 7 using mercury(II) chloride (Caution) as a thiophile resulted in corresponding guanidines 2 and 8 which on reaction with alpha-bromo ketones yielded 2-tritylaminoimidazoles. Deprotection of 2-tritylaminoimidazoles using trifluoroacetic acid at room temperature furnished desired 2-aminoimidazoles 4 and 10 in good to moderate yields. (C) 2009 Elsevier Ltd. All rights reserved.