3,6-di(dodecylthio)-4,5-dicyanobenzene | 344453-37-8

• 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: 3,6-di(dodecylthio)-4,5-dicyanobenzene
• 英文别名: 3,6-di(dodecylthiol)-4,5-dicyanobenzene；3,6-Bis(dodecylsulfanyl)benzene-1,2-dicarbonitrile
• CAS: 344453-37-8
• 化学式: C₃₂H₅₂N₂S₂
• 分子量: 528.91
• InChiKey: PKUNOLIHEQYMCI-UHFFFAOYSA-N

物化性质

• 沸点：
  630.4±55.0 °C(Predicted)
• 密度：
  1.00±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  13.5
• 重原子数：
  36
• 可旋转键数：
  24
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  98.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,6-di(dodecylthio)-4,5-dicyanobenzene 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 palladium dichloride 作用下， 以 戊醇 为溶剂， 反应 5.0h， 以53%的产率得到1,4,8,11,15,18,22,25-octakis(dodecylthiophthalocyaninato) palladium(II)
  参考文献：
  名称：

  Phototransformation of 4-nitrophenol using Pd phthalocyanines supported on single walled carbon nanotubes

  摘要：

  Adsorption of palladium phthalocyanines complexes on single walled carbon nanotubes was carried out. The resulting composites were employed as catalysts for heterogeneous photocatalytic oxidation of 4-nitrophenol (4-NP) in aqueous media. Singlet oxygen was found to be involved in the phototransformation of 4-NP. Gas chromatographic separation gave hydroquinone and benzoquinone as the phototransformation products. Langmuir-Hinshelwood (L-H) model was employed to evaluate the adsorption and desorption equilibria of the reactants and the products. 2,3,9,10,16,17,23,24-octakis(dodecylthiophthalocyaninato) palladium(II) and 1,4,8,11,15,18,22,25-octakis(dodecylthio phthalocyaninato) palladium, containing the longest alkyl chain gave the best performances. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2011.01.016
• 作为产物：
  描述：

  2,3-dicyano-1,4-phenylene bis(4-methylbenzenesulfonate) 、 十二硫醇 在 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 12.0h， 以85%的产率得到3,6-di(dodecylthio)-4,5-dicyanobenzene
  参考文献：
  名称：

  Phototransformation of 4-nitrophenol using Pd phthalocyanines supported on single walled carbon nanotubes

  摘要：

  Adsorption of palladium phthalocyanines complexes on single walled carbon nanotubes was carried out. The resulting composites were employed as catalysts for heterogeneous photocatalytic oxidation of 4-nitrophenol (4-NP) in aqueous media. Singlet oxygen was found to be involved in the phototransformation of 4-NP. Gas chromatographic separation gave hydroquinone and benzoquinone as the phototransformation products. Langmuir-Hinshelwood (L-H) model was employed to evaluate the adsorption and desorption equilibria of the reactants and the products. 2,3,9,10,16,17,23,24-octakis(dodecylthiophthalocyaninato) palladium(II) and 1,4,8,11,15,18,22,25-octakis(dodecylthio phthalocyaninato) palladium, containing the longest alkyl chain gave the best performances. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2011.01.016

文献信息

• SUBSTITUTED PHTHALOCYANINES AND THEIR PRECURSORS
  申请人：Gentian AS

  公开号：EP1238016A1

  公开（公告）日：2002-09-11
• [EN] SUBSTITUTED PHTHALOCYANINES AND THEIR PRECURSORS<br/>[FR] PHTALOCYANINES SUBSTITUEES ET LEURS PRECURSEURS
  申请人：GENTIAN AS

  公开号：WO2001042368A1

  公开（公告）日：2001-06-14

  This invention relates to a process for the preparation of phthalonitrile sulfonate esters, a process for the preparation of substituted phthalonitriles using said phthalonitrile sulfonate esters, a process for the preparation of substituted phthalocyanines using said substituted phthalonitriles, a process for the preparation of phthalonitrile halides, a process for the preparation of substituted phthalocyanines using said phthalonitrile halides, novel phthalonitrile sulfonate esters, novel substituted phthalonitriles, novel substituted phthalocyanines and certain uses of said novel substituted phthalocyanines.
• [EN] SUBSTITUTED DI(HYDROXY/ALKOXY)SILICON PHTHALOCYANINES AND THEIR USES<br/>[FR] PHTALOCYANINES DE DI(HYDROXY/ALCOXY)SILICIUM SUBSTITUEES ET UTILISATIONS DE CES DERNIERES
  申请人：GENTIAN AS

  公开号：WO2002096913A1

  公开（公告）日：2002-12-05

  This invention relates to certain substituted di(hydroxy/alkoxy)silicon phthalocyanines and certain uses thereof, in particular their uses in photodynamic therapy and in photodiagnostics.
• Phototransformation of 4-nitrophenol using Pd phthalocyanines supported on single walled carbon nanotubes
  作者：Taofeek B. Ogunbayo、Tebello Nyokong

  DOI：10.1016/j.molcata.2011.01.016

  日期：2011.3

  Adsorption of palladium phthalocyanines complexes on single walled carbon nanotubes was carried out. The resulting composites were employed as catalysts for heterogeneous photocatalytic oxidation of 4-nitrophenol (4-NP) in aqueous media. Singlet oxygen was found to be involved in the phototransformation of 4-NP. Gas chromatographic separation gave hydroquinone and benzoquinone as the phototransformation products. Langmuir-Hinshelwood (L-H) model was employed to evaluate the adsorption and desorption equilibria of the reactants and the products. 2,3,9,10,16,17,23,24-octakis(dodecylthiophthalocyaninato) palladium(II) and 1,4,8,11,15,18,22,25-octakis(dodecylthio phthalocyaninato) palladium, containing the longest alkyl chain gave the best performances. (C) 2011 Elsevier B.V. All rights reserved.