bis(4-isothiocyanatophenyl)amine | 1048037-23-5

• 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: bis(4-isothiocyanatophenyl)amine
• 英文别名: bis-(4-isothiocyanato-phenyl)-amine；4.4'-Bis-(thiocarbonyl-amino)-diphenylamin；Bis-(4-isothiocyanato-phenyl)-amin；4.4'-Imino-bis-phenylsenfoel；4-isothiocyanato-N-(4-isothiocyanatophenyl)aniline
• CAS: 1048037-23-5
• 化学式: C₁₄H₉N₃S₂
• 分子量: 283.378
• InChiKey: LOROIZCQLGCAET-UHFFFAOYSA-N

物化性质

• 熔点：
  182-183 °C
• 沸点：
  476.6±30.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  bis(4-isothiocyanatophenyl)amine 在 potassium carbonate 、 苯硫酚 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 生成 4-N-(1-methoxy-4,5-dihydroimidazol-2-yl)-1-N-[4-[(1-methoxy-4,5-dihydroimidazol-2-yl)amino]phenyl]benzene-1,4-diamine
  参考文献：
  名称：

  Synthesis and Antiprotozoal Activity of N-Alkoxy Analogues of the Trypanocidal Lead Compound 4,4′-Bis(imidazolinylamino)diphenylamine with Improved Human Blood−Brain Barrier Permeability

  摘要：

  To improve the blood brain barrier permeability of the trypanocidal lead compound 4,4'-bis(imidazolinylamino)diphenylamine (1), five N-alkoxy analogues were synthesized from bis(4-isothiocyanatophenyl)amine and N-alkoxy-N-(2-aminoethyl)-2-nitrobenzenesulfonamides following successive chemical reactions in just one reactor ("one-pot procedure"). This involved: (a) formation of a thiourea intermediate, (b) removal of the amine protecting groups, and (c) intramolecular cyclization. The blood brain barrier permeability of the compounds determined in vitro by transport assays through the hCMEC/D3 human cell line, a well-known and characterized human cellular blood brain barrier model, showed that the N-hydroxy analogue 16 had enhanced blood brain barrier permeability compared with the unsubstituted lead compound. Moreover, this compound displayed low micromolar IC50 against Trypanosoma brucei rhodesiense and Plasmodium falciparum and moderate activity by intraperitoneal administration in the STIB900 m urine model of acute sleeping sickness.

  DOI：

  10.1021/jm101335q
• 作为产物：
  描述：

  对乙酰氨基偶氮苯 在 hydrochloride of tin dichloride 作用下， 生成 bis(4-isothiocyanatophenyl)amine
  参考文献：
  名称：

  Jacobson; Kunz, Justus Liebigs Annalen der Chemie, 1898, vol. 303, p. 361

  摘要：

  DOI：

文献信息

• CHROMENE COMPOUND, CURABLE COMPOSITION COMPRISING THE COMPOUND, AND OPTICAL ARTICLE INCLUDING A CURED BODY OF THE CURABLE COMPOSITION
  申请人：TOKUYAMA CORPORATION

  公开号：US20200190106A1

  公开（公告）日：2020-06-18

  A chromene compound having at least one indenonaphthopyran moiety which has a group forming a spiro ring together with the 13-position carbon atom and further an oligomer chain group selected from a polyalkylene oxide oligomer chain group having at least three recurring units and a polyester oligomer chain group having at least three recurring units, represented by the following formula and having reduced matrix dependence: wherein R 1 and R 2 are each a group which may have an oligomer chain group, the ring Z bonded to the 13-position carbon atom of the chromene compound is a Spiro ring group, and R 3 and R 4 are each an aryl group or heteroaryl group which may have an oligomer chain group. Preferably, the chromene compound has at least one oligomer chain group in the molecule.

  具有至少一个印苯并萘吡喃基团的色酮化合物，其中该基团与13位碳原子形成螺环，并且进一步具有从至少三个重复单元中选择的聚烷氧基寡聚物链基团和聚酯寡聚物链基团中的一个寡聚物链基团，由下式表示并具有降低的矩阵依赖性： 其中R1和R2是各自可能具有寡聚物链基团的基团，与色酮化合物的13位碳原子键合的环Z是螺环基团，而R3和R4是各自可能具有寡聚物链基团的芳基或杂环基团。最好，该色酮化合物在分子中至少具有一个寡聚物链基团。
• High impact poly (urethane urea) polysulfides
  申请人：Bojkova V. Nina

  公开号：US20050282991A1

  公开（公告）日：2005-12-22

  The present invention relates to a sulfur-containing polyureaurethane and a method of preparing said polyureaurethane. In an embodiment, the sulfur-containing polyureaurethane adapted to have a refractive index of at least 1.57, an Abbe number of at least 32 and a density of less than 1.3 grams/cm 3 , when at least partially cured.

  本发明涉及一种含硫聚脲脲酯及其制备方法。在一种实施例中，所述含硫聚脲脲酯适于至少部分固化时具有折射率至少为1.57，阿贝数至少为32，密度小于1.3克/立方厘米。
• Sulfur-containing oligomers and high index polyurethanes prepared therefrom
  申请人：Bojkova V. Nina

  公开号：US20070142605A1

  公开（公告）日：2007-06-21

  The present invention provides polythiol oligomer formed by the reaction of at least two or more different dienes and at least one or more dithiol wherein stoichiometric ratio of the sum of the number of equivalents of all polythiols to the sum of the number of equivalents of all dienes used to form said polythiol oligomer is greater than 1.0:1.0; and wherein said two or more different dienes comprise (a) at least one non-cyclic diene and at least one cyclic diene; or (b) at least one aromatic ring-containing diene and at least one non-aromatic cyclic diene; or (c) at least one non-aromatic monocyclic diene and at least one non-aromatic polycyclic diene; Sulfur-containing polyurethane of the present invention can be prepared by combining polyisocyanate, polyisothiocyanate, or mixture thereof; the polythiol oligomer described above; and active hydrogen-containing material.

  本发明提供了一种多硫基寡聚物，其由至少两种或更多不同的二烯和至少一种或更多的二硫醇反应形成，其中所有多硫醇的当量数之和与用于形成所述多硫基寡聚物的所有二烯的当量数之和的比例大于1.0：1.0；且所述两种或更多不同的二烯包括(a)至少一种非环状二烯和至少一种环状二烯；或(b)至少一种含芳香环的二烯和至少一种非芳香环的二烯；或(c)至少一种非芳香单环二烯和至少一种非芳香多环二烯。本发明的含硫聚氨酯可以通过将多异氰酸酯、多异硫氰酸酯或其混合物与上述多硫醇寡聚物和含有活性氢的材料结合而制备。
• Polyurethanes and sulfur-containing polyurethanes and methods of preparation
  申请人：Bojkova Nina

  公开号：US20070142604A1

  公开（公告）日：2007-06-21

  The present invention relates to polyurethanes and sulfur-containing polyurethanes and methods for their preparation. Polyurethanes of the present invention can be prepared by combining polyisocyanate; trifunctional or higher-functional polyol having molecular weight of less than or equal to 200 grams/mole; and diol having molecular weight of less than or equal to 200 grams/mole. Sulfur-containing polyurethanes of the present invention can be prepared by combining polyisocyanate and/or polyisothiocyanate; trifunctional or higher-functional polyol having molecular weight of less than or equal to 200 grams/mole, and/or trifunctional or higher-functional polythiol having molecular weight of less than or equal to 600 grams/mole; and diol having molecular weight of less than or equal to 200 grams/mole and/or dithiol having molecular weight of less than or equal to 600 grams/mole.

  本发明涉及聚氨酯和含硫聚氨酯以及它们的制备方法。本发明的聚氨酯可以通过将多异氰酸酯、分子量小于等于200克/摩尔的三官能或更高官能的多元醇和分子量小于等于200克/摩尔的二元醇组合而制备。本发明的含硫聚氨酯可以通过将多异氰酸酯和/或多异硫氰酸酯、分子量小于等于200克/摩尔的三官能或更高官能的多元醇和/或分子量小于等于600克/摩尔的三官能或更高官能的多硫醇以及分子量小于等于200克/摩尔的二元醇和/或分子量小于等于600克/摩尔的二硫醇组合而制备。
• Polyurethane (ureas) and sulfur-containing polyurethane (ureas) methods of preparation
  申请人：Bojkova V. Nina

  公开号：US20070142606A1

  公开（公告）日：2007-06-21

  The present invention relates to polyurethane(ureas), sulfur-containing polyurethane(ureas) and methods for their preparation. Polyurethane(urea) of the present invention can be prepared by combining polyisocyanate; trifunctional or higher-functional polyol diol and diamine. Sulfur-containing polyurethane(urea) of the present invention can be prepared by combining (a) polyisocyanate and/or polyisothiocyanate; (b) trifunctional or higher-functional (c) polyol and/or trifunctional or higher-functional polythiol and diol and/or dithiol and/or dithiol oligomer and (d) diamine wherein at least one of (a), (b), (c) and (d) is sulfur-containing.

  本发明涉及聚氨酯（脲）、含硫聚氨酯（脲）及其制备方法。本发明的聚氨酯（脲）可以通过将多异氰酸酯、三官能或更高官能度的多元醇二醇和二胺结合而成。本发明的含硫聚氨酯（脲）可以通过将（a）多异氰酸酯和/或多异硫氰酸酯；（b）三官能或更高官能度的（c）多元醇和/或三官能或更高官能度的多硫醇和二醇和/或二硫醇和/或二硫醇寡聚体和（d）二胺结合而成，其中至少有一个是含硫的。