sym N,N'-bis(2,5-xylyl)thiourea | 57206-69-6

• 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: sym N,N'-bis(2,5-xylyl)thiourea
• 英文别名: 1,3-bis(2,5-dimethylphenyl)thiourea；N,N'-Bis-<2,5-dimethyl-phenyl>-thioharnstoff；N,N'-bis-(2,5-dimethyl-phenyl)-thiourea；N,N'-Bis-(2,5-dimethyl-phenyl)-thioharnstoff
• CAS: 57206-69-6
• 化学式: C₁₇H₂₀N₂S
• 分子量: 284.425
• InChiKey: KDCYCCWOEPVFHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  56.2
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  sym N,N'-bis(2,5-xylyl)thiourea 在 哌啶 、 sodium acetate 作用下， 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  新型天冬氨酸蛋白酶2（SAP2）的非肽类小分子抑制剂，可用于治疗耐药性真菌感染†

  摘要：

  靶向分泌的天冬氨酸蛋白酶2（SAP2），一种毒力因子，代表了抗真菌药物发现的新策略。在本报告中，使用基于结构的方法合理设计和优化了第一代小分子SAP2抑制剂。尤其是，抑制剂23h具有很高的效力和选择性，并显示出良好的抗真菌效力，可用于治疗耐药性白色念珠菌感染。

  DOI：

  10.1039/c8cc07810f
• 作为产物：
  描述：

  2,5-二甲基苯胺 在 乙醇 、 氯仿 、 水 作用下， 生成 sym N,N'-bis(2,5-xylyl)thiourea
  参考文献：
  名称：

  Dyson; Hunter, Journal of the Society of Chemical Industry, 1926, vol. 45, p. 84 T

  摘要：

  DOI：

文献信息

• Ytterbium(III) Triflate Catalyzed One-Pot Synthesis of 1,3-Thiazolidin-2-imines­ from Epichlorohydrin and Thioureas
  作者：Weike Su、Chuangwei Liu、Weiguang Shan

  DOI：10.1055/s-2008-1032100

  日期：——

  2-Arylimino-3-aryl-1,3-thiazolidines were successfully obtained from epichlorohydrin and thioureas in DMF catalyzed by Yb(OTf)3. Inversion of the configuration occurred at the chiral center of the epoxide.

  2-芳基亚氨基-3-芳基-1,3-噻唑烷成功由表氯醇和硫脲在DMF中以Yb(OTf)3为催化剂合成。环氧化物手性中心的构型发生了翻转。
• Novel Synthesis of 2,4-Dihydro-5-amino[1,2,4]triazol-3-ones from 1,3-Disubstituted Thioureas
  作者：Weike Su、Can Jin、Chuangwei Liu

  DOI：10.1055/s-0028-1087563

  日期：2009.3

  A facile two-step synthesis of 2,4-dihydro-5-amino-[1,2,4]triazol-3-ones is described. Firstly, 1,3-disubstituted thioureas reacted with bis(trichloromethyl) carbonate (BTC) in the presence of a base such as NaHCO3 to form the intermediate 4-(arylimino)-1,3-thiazetidin-2-ones almost quantitatively. Then the intermediates were treated with hydrazine monohydrate to give 2,4-dihydro-5-amino[1,2,4]triazol-3-ones in high yields. In the case of highly sterically hindered thioureas, carbodiimides were unexpectedly obtained in high yields under the same conditions.

  描述了一种简单的两步合成2,4-二氢-5-氨基-[1,2,4]三唑-3-酮的方法。首先，1,3-二取代硫脲在如NaHCO3的碱性环境下与双（三氯甲基）碳酸酯（BTC）反应，几乎定量地形成中间体4-(芳基亚氨基)-1,3-噻唑烷-2-酮。然后，将中间体与单水合肼反应，得到高产率的2,4-二氢-5-氨基[1,2,4]三唑-3-酮。在高度立体位阻的硫脲的情况下，在相同条件下意外地得到高产率的氨基脲。
• Solution behavior of half sandwich ruthenium(II) complexes ligated by sym N,N'-diarylthiourea: Structural aspects and temperature dependent NMR
  作者：Taruna Singh、Ram Kishan、Pramod Kumar

  DOI：10.1016/j.molstruc.2022.133575

  日期：2022.11

  +[(ArNH)2C(S)⋅Cl]–⋅toluene (Ar = 2,6-Me2C6H3; 7) in 90% yield when carried out with four equiv of (ArNH)2C=S. The mode of coordination in all the Ru(II) complexes was confirmed by spectroscopic methods and X-ray crystallography. In solution, complexes 2 and 7 exhibited two isomers in about 2:1 and 1:0.15 ratios respectively and confirmed by a temperature dependent 1H NMR spectral titration. The spectral

  [( η 6 -C 10 H 14 )RuCl( μ -Cl)] 2 ( η 6 -C 10 H 14  =  η 6 - p -伞花烃)与符号N,N '-二芳基硫脲 (2 equiv.), (ArNH) 2 C=S 在甲苯中在室温下得到 [( η 6 -C 10 H 14 )RuCl 2 (S)C(NHAr) 2 }]⋅xH 2 O ( sym  = 对称; Ar = C 6 H 5 (1 ), 2-MeC 6 H 4 ( 2 ), 2,4-Me 2 C 6 H 3 ( 3 ), 2,5-Me 2 C 6 H 3 ( 4 ), 2,6-Me 2 C 6 H 3 ( 5 ) 和2,6- i Pr 2 C 6 H 3 ( 6 ); x = 无 ( 1 – 2和4 – 6 ) 和 1 ( 3)) 的产率为 86%−95%。然而，上述反应得到 [( η 6 -C 10 H 14 )RuCl(S)C(NHAr)
• Synthesis of Thioureas, Thioamides, and Aza-Heterocycles via Dimethyl-Sulfoxide-Promoted Oxidative Condensation of Sulfur, Malonic Acids, and Amines
  作者：Trung Hieu Do、Supasorn Phaenok、Darunee Soorukram、Tina Modjinou、Daniel Grande、Thi Thanh Tam Nguyen、Thanh Binh Nguyen

  DOI：10.1021/acs.orglett.3c02247

  日期：2023.9.1

  Malonic acid and derivatives have been well-known to undergo monodecarboxylation under relatively mild conditions and have been exclusively used as a C2 synthon. We report herein their new application as a C1 synthon via double decarboxylation promoted by sulfur and dimethyl sulfoxide. In the presence of amines as nucleophiles, a wide range of thioureas and thioamides as well as N-heterocycles were

  众所周知，丙二酸及其衍生物在相对温和的条件下进行单脱羧，并专门用作C 2合成子。我们在此报道了它们作为 C 1合成子的新应用，通过硫和二甲亚砜促进的双脱羧作用。在胺作为亲核试剂存在的情况下，在温和的加热条件下，可以以良好至优异的产率获得各种硫脲和硫代酰胺以及N-杂环。
• Toner containing a diarylguanidine type compound for developing electrostatic images
  申请人：CANON KABUSHIKI KAISHA

  公开号：EP0387769A1

  公开（公告）日：1990-09-19

  A toner for developing an electrostatic image comprises a binder resin and a dimer of a diarylguanidine type compound. The dimer is represented by the general formula (I) below: wherein R¹, R², R³, R⁴, R⁵, R⁶, R¹a, R²a, R³a, R⁴a, R⁵a, and R⁶a are respectively a hydrogen atom, an alkyl group, an amino group, an alkoxy group, or an aryl group which may have a substituent, and may be the same with or different from each other; adjacent groups may be linked together to form a ring; and A is a linking group.

  一种用于显影静电图像的调色剂由粘合剂树脂和二芳基胍类化合物的二聚体组成。二聚物由以下通式 (I) 表示： 其中 R¹、R²、R³、R⁴、R⁵、R⁶、R¹a、R²a、R³a、R⁴a、R⁵a 和 R⁶a 分别是氢原子、烷基、氨基、烷氧基或芳基，它们可以具有取代基，可以彼此相同或不同；相邻基团可连接在一起形成环；A 是连接基团。