3,3'-dipropyl-1,1'-p-phenylene-bis-thiourea | 16349-61-4

• 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: 3,3'-dipropyl-1,1'-p-phenylene-bis-thiourea
• 英文别名: 1-propyl-3-[4-(propylcarbamothioylamino)phenyl]thiourea
• CAS: 16349-61-4
• 化学式: C₁₄H₂₂N₄S₂
• 分子量: 310.487
• InChiKey: IHZYFXHSNXNHAG-UHFFFAOYSA-N

物化性质

• 沸点：
  419.7±55.0 °C(Predicted)
• 密度：
  1.217±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.08
• 重原子数：
  20.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  48.12
• 氢给体数：
  4.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  3,3'-dipropyl-1,1'-p-phenylene-bis-thiourea 在 溴 作用下， 以 氯仿 为溶剂， 生成 N,N'-dipropyl-benzo[1,2-d;4,5-d']bisthiazole-2,6-diamine
  参考文献：
  名称：

  二氨基苯并双噻唑及其相关化合物

  摘要：

  在制备benzobisthiazoles的从米-和p由硫氰化或由派生硫脲环合苯二胺的线性三环类化合物通常是主要的或唯一的产品。3,6-二氨基-1,2-亚苯基二硫代硫酸氢盐（所谓的对-苯二氨基-2,5-双硫代硫酸）是2,3-异构体，需要对其衍生物的结构进行校正，例如，二氨基苯二硫醇，双重氮硫醚和某些苯并二噻唑。在2-萘胺和6-氨基喹啉的衍生物中稠合的噻唑环的形成分别发生在1-和5-位。

  DOI：

  10.1039/j39670002212
• 作为产物：
  描述：

  异氰酸丙酯 、 对苯二胺 以 乙醇 为溶剂， 反应 2.0h， 以75%的产率得到3,3'-dipropyl-1,1'-p-phenylene-bis-thiourea
  参考文献：
  名称：

  Anchoring rhodium(I) on thiourea-functionalized silica xerogels and silsesquioxanes part II. Matrix effects on the selectivity in the hydroformylation of styrene

  摘要：

  Three thiourea-functionalized siloxane materials, 5SiO(2) . SiO3/2(CH2)(3)NHC(S)NHPh (XGphtn), SiO3/2(CH2)(3)NHC(S)NHPH (XGphtu*) and p-{SiO3/2(CH2)(3)NHC(S)NH}(2)C6H4 (XGphenditu*) were prepared. They are able to anchor Rh(I) species giving supported complexes that are very active recoverable catalysts for the hydroformylation of styrene. Some of these materials show regioselectivity variation when used in consecutive catalytic runs. The recovered catalysts have been investigated by XPS and EDX and the change in regioselectivity has been ascribed to matrix effects. In fact, the surface rhodium leaching apparently forces the catalytic process to move in the inside of the materials causing the substrate to experience the inner matrix environment. Furthermore, the non-siloxanized thioureas PhNHC(S)NHPh (Phtu) and p-{PrNHC(S)NH}(2)C6H4 (Phenditu), which give discrete molecular Rh(I) complexes, were studied as models for the surface binding functions. The structure of [Rh(cod)Cl(Phtu)] (cod=1,5-cyclooctadiene) has been determined by X-ray diffraction methods. (C) 1997 Published by Elsevier Science S.A.

  DOI：

  10.1016/s0022-328x(97)00089-2

文献信息

• Anchoring rhodium(I) on thiourea-functionalized silica xerogels and silsesquioxanes part II. Matrix effects on the selectivity in the hydroformylation of styrene
  作者：Daniele Cauzzi、Mirco Costa、Luca Gonsalvi、Maria Angela Pellinghelli、Giovanni Predieri、Antonio Tiripicchio、Roberto Zanoni

  DOI：10.1016/s0022-328x(97)00089-2

  日期：1997.8

  Three thiourea-functionalized siloxane materials, 5SiO(2) . SiO3/2(CH2)(3)NHC(S)NHPh (XGphtn), SiO3/2(CH2)(3)NHC(S)NHPH (XGphtu*) and p-SiO3/2(CH2)(3)NHC(S)NH}(2)C6H4 (XGphenditu*) were prepared. They are able to anchor Rh(I) species giving supported complexes that are very active recoverable catalysts for the hydroformylation of styrene. Some of these materials show regioselectivity variation when used in consecutive catalytic runs. The recovered catalysts have been investigated by XPS and EDX and the change in regioselectivity has been ascribed to matrix effects. In fact, the surface rhodium leaching apparently forces the catalytic process to move in the inside of the materials causing the substrate to experience the inner matrix environment. Furthermore, the non-siloxanized thioureas PhNHC(S)NHPh (Phtu) and p-PrNHC(S)NH}(2)C6H4 (Phenditu), which give discrete molecular Rh(I) complexes, were studied as models for the surface binding functions. The structure of [Rh(cod)Cl(Phtu)] (cod=1,5-cyclooctadiene) has been determined by X-ray diffraction methods. (C) 1997 Published by Elsevier Science S.A.
• Diaminobenzobisthiazoles and related compounds
  作者：Justus K. Landquist

  DOI：10.1039/j39670002212

  日期：——

  In the preparation of benzobisthiazoles from m- and p-phenylenediamines by thiocyanation or by ring closure of derived thioureas the linear tricyclic compound is usually the major or the only product. 3,6-Diamino-1,2-phenylene di(hydrogen thiosulphate)(the so-called p-phenylenediamino-2,5-bisthiosulphuric acid) is the 2,3-isomer and correction is required to structures assigned to its derivatives,

  在制备benzobisthiazoles的从米-和p由硫氰化或由派生硫脲环合苯二胺的线性三环类化合物通常是主要的或唯一的产品。3,6-二氨基-1,2-亚苯基二硫代硫酸氢盐（所谓的对-苯二氨基-2,5-双硫代硫酸）是2,3-异构体，需要对其衍生物的结构进行校正，例如，二氨基苯二硫醇，双重氮硫醚和某些苯并二噻唑。在2-萘胺和6-氨基喹啉的衍生物中稠合的噻唑环的形成分别发生在1-和5-位。