1,1-二苄基-3-苯基异硫脲 | 15093-53-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1,1-二苄基-3-苯基异硫脲
• 英文名称: 1,1-dibenzyl-3-phenyl-2-thiourea
• 英文别名: N,N-dibenzyl-N'-phenyl-thiourea；PhNHC(S)N(CH2Ph)2；N,N-Dibenzyl-N'-phenyl-thioharnstoff；N-Phenyl-N,N'-dibenzyl-thioharnstoff；1,1-Dibenzyl-3-phenyl-thioharnstoff；1-Phenyl-3,3-dibenzyl-thioharnstoff；Thiourea, N'-phenyl-N,N-bis(phenylmethyl)-；1,1-dibenzyl-3-phenylthiourea
• CAS: 15093-53-5
• 化学式: C₂₁H₂₀N₂S
• mdl: MFCD00087137
• 分子量: 332.469
• InChiKey: PPRFKFURQYWPRC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.095
• 拓扑面积：
  47.4
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  三苯基膦氯金 、 1,1-二苄基-3-苯基异硫脲 在 trimethylamine 作用下， 以 甲醇 、 水 为溶剂， 以93%的产率得到Ph3PAuSC(=NPh)N(CH2Ph)2
  参考文献：
  名称：

  Synthesis, characterisation, supramolecular aggregation and biological activity of phosphine gold(I) complexes with monoanionic thiourea ligands

  摘要：

  A series of phosphine gold(I) complexes containing monoanionic thiourea ligands has been synthesised by reaction of the appropriate precursor chloro complex, Ph3PAuCl, Cy3PAuCl, dppf(AuCl)(2) [dppf = Fe(eta(5)-C5H4PPh2)(2)] or dppe(AuCI)2 (dppe = Ph2PCH2CH2PPh2) with the thiourea and Me3N base in methanol solution. The complexes have been fully characterised by elemental analysis, NMR spectrometry, electrospray mass spectrometry, and in several cases, by single-crystal X-ray diffraction studies. The crystallographic studies show that the ligands coordinate as a thiolate in each case with systematic variations in geometric parameters being readily ascribed to the influence of the N-bound substituents. In four of the structures, discernable supramolecular aggregation patterns are evident, leading to loosely associated dimers or chain motifs, the latter mediated by either An...S, N-H...N or C-H...O interactions. Cytotoxicity data, against the P388 leukemia cell line, and anti-microbial data are also reported. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.07.046
• 作为产物：
  描述：

  硫代异氰酸苯酯 、 二苄胺 在 乙醇 作用下， 生成 1,1-二苄基-3-苯基异硫脲
  参考文献：
  名称：

  Dixon, Journal of the Chemical Society, 1893, vol. 63, p. 539

  摘要：

  DOI：

文献信息

• Platinum(II) complexes of chelating and monodentate thiourea monoanions incorporating chiral, fluorescent or chromophoric groups
  作者：William Henderson、Brian K. Nicholson、Clifton E.F. Rickard

  DOI：10.1016/s0020-1693(01)00473-x

  日期：2001.8

  with triethylamine base, followed by addition of NaBPh4 gives the salts [PtSC(NR1R2)NR3}(PPh3)2]BPh4 in high yield; a range of thiourea substituents, including chiral, fluorescent and chromophoric groups can be incorporated. The azo dye-derived complex [PtSC(N(CH2CH2)2O)NC6H4NNC6H4NMe2}(PPh3)2]BPh4 has been characterised by a single-crystal X-ray diffraction study. The formation of a fluorescein-derivatised

  摘要顺式-[PtCl2（PPh3）2]与三取代硫脲[R1R2NC（S）NHR3]在回流的甲醇中与三乙胺碱反应，然后添加NaBPh4得到盐[Pt SC（NR1R2）NR3}（ PPh3）2] BPh4高产；可以引入许多硫脲取代基，包括手性，荧光和发色基团。偶氮染料衍生的配合物[Pt SC（N（CH2CH2）2O）NC6H4NNC6H4NMe2}（PPh3）2] BPh4的特征在于单晶X射线衍射研究。还描述了荧光素衍生的铂-硫脲复合物的形成。顺式[[PtCl2（PPh3）2]与PhNHC（S）NHPh或EtNHC（S）NHEt，三乙胺和NaBPh4的反应分别得到[Pt SC（NHPh）NPh}（PPh3）2] +和已知的阳离子[Pt SC（= NHEt）NEt}（PPh3）2] +，以四苯基硼酸盐的形式分离。顺式-[PtCl2（PPh3）2]与过量的Na [MeNHC（S）N
• Thiourea monoanion and dianion complexes of rhodium(III) and ruthenium(II)
  作者：William Henderson、Brian K Nicholson、Maarten B Dinger、Rachel L Bennett

  DOI：10.1016/s0020-1693(02)01017-4

  日期：2002.10

  as ligands is shown by the synthesis and characterisation of a range of rhodium(III) complexes of substituted thioureas, with support from a ruthenium(II) analogue in one case. Reaction of the complexes [LMCl(μ-Cl)] 2 [M=Rh, L=η 5 -C 5 Me 5 (Cp*); M=Ru, L=η 6 - p -cymene] with Na[MeNHC(S)NCN] and excess trimethylamine base gives the dinuclear complexes [LMSC(NCN)NMe}] 2 containing chelate-bridging

  摘要在一种情况下，在钌（II）类似物的支持下，一系列取代的硫脲的铑（III）配合物的合成和表征显示了去质子化的硫脲作为配体的多功能性。配合物[LMCl（μ-Cl）] 2的反应[M = Rh，L =η5 -C 5 Me 5（Cp *）； [M + H] +。M ＝ Ru，L ＝η6-对甲基苯甲基，具有Na [MeNHC（S）NCN]和过量的三甲胺碱，得到含有螯合桥联硫脲双阴离子配体的双核配合物[LM SC（＝ NCN）NMe}] 2。通过X射线衍射研究表征Ru配合物。通过类似的反应，制备了含有螯合硫脲双阴离子配体的单核络合物[Cp * Rh SC（NCN）NMe}（PPh 3）]和[Cp * Rh SC（NPh）NPh}（PPh 3）]。在三苯基膦存在下。[Cp * Rh SC（= NCN）NMe}（PPh 3）]与HCl或[Cp * RhCl（μ-Cl）] 2与2当量的反应。PPh
• Dimerized thiourea derivatives, near-infrared absorbents comprising the same, and heat wave shielding materials comprising the same
  申请人：NIPPON PAPER INDUSTRIES CO., LTD.

  公开号：EP0611754A1

  公开（公告）日：1994-08-24

  A composition which comprises a thiourea derivative of Formula [1] or [2]: and a copper compound, may be used to prepare a near-infrared resin material which has a wide absorption in the near-infrared region. Typical examples of the dimerized thiourea derivative are 4,4'-di(benzylthiocarbamoyl)-aminodiphenylmethane, 4,4'-di(benzylthiocarbamoyl)-aminodiphenylhexafluo- ropropane, and 1,4'-di(dibenzoylthiocarbamoylamino)-2,5-dimethylbenzene and typical examples of the copper compound are copper stearate and copper β-acryloyloxypropylhydrogenphthalate.

  一种由式[1]或[2]的硫脲衍生物组成的组合物： 和铜化合物组成的组合物，可用于制备在近红外区域具有宽吸收率的近红外树脂材料。二聚化硫脲衍生物的典型例子有 4,4'-二（苄基硫代氨基甲酰基）-氨基二苯基甲烷、4,4'-二（苄基硫代氨基甲酰基）-氨基二苯基六氟丙烷和 1,4'-二（二苯甲酰基硫代氨基甲酰基氨基）-2,5-二甲基苯，铜化合物的典型例子有硬脂酸铜和β-丙烯酰氧基丙基氢邻苯二甲酸铜。
• Arene ruthenium metallacycles containing chelating thioamide ligands
  作者：Cansu Alagöz、David J. Brauer、Fabian Mohr

  DOI：10.1016/j.jorganchem.2008.12.015

  日期：2009.4

  Cationic, chiral arene ruthenium complexes of the type [Ru(eta(6)-cym)(PPh3)kappa N-2,S-PhNC(S)R}]BPh4 were prepared in high yields by refluxing a mixture containing [(eta(6)-cym)RuCl2](2), Ph3P, PhNHC(S)R, NaBPh4 and Et3N in MeOH. A series of seven complexes with different thioamide ligands was prepared and fully characterised by spectroscopic methods including NMR spectroscopy and electrospray mass spectrometry. The solid-state structures of two complexes were determined by single crystal X-ray diffraction. (C) 2008 Elsevier B.V. All rights reserved.
• Synthesis of N,N,N'-trisubstituted N"-cyanoguanidines and N-aryl-N'-(triorganostannyl)-N'N"-dicyanoguanidines
  作者：Eugene J. Kupchik、Hans E. Hanke、Jack P. DiMarco、Roy J. Chessari

  DOI：10.1021/je00023a032

  日期：1981.1