N-(n-propyl)-N'-(4-heptoxybenzoyl)thiourea | 444891-65-0

• 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: N-(n-propyl)-N'-(4-heptoxybenzoyl)thiourea
• 英文别名: 4-heptoxy-N-(propylcarbamothioyl)benzamide
• CAS: 444891-65-0
• 化学式: C₁₈H₂₈N₂O₂S
• 分子量: 336.499
• InChiKey: LADLVAVSPVTGBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  23
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  82.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  顺-二氯二(吡啶)铂(II) 、 N-(n-propyl)-N'-(4-heptoxybenzoyl)thiourea 在 tert-butylammonium perchlorate 作用下， 以 甲醇 、 水 为溶剂， 生成 trans-[Pt(II)(pyridine)2(N-(n-propyl)-N'-(4-heptoxybenzoyl)thiourea)2-S]Cl2
  参考文献：
  名称：

  Determination of the nucleophilic reactivity constants for a series of N-(n-propyl)-N′-(para-R-benzoyl)thioureas towards trans-[Pt(pyridine)2Cl2]

  摘要：

  The relative nucleophilic reaction constants n(pt), for a series of N-(n-propyl)-N'-(para-R-benzoyl)thioureas (R = H, CH3O2 (CH3)(3)C, Br, Cl, C7H15O, I, NO2) have been determined for the substrate trans-[PtCl2(pyridine)(2)] in methanol-water (75:25 v/v at 30 degreesC and mu = 0.03). and are compared with that of unsubstituted thiourea. The bimolecular substitution reaction constants k(2) were found to vary from 12.1 +/- 1.3 to 6.0 +/- 0.4 (for thiourea). corresponding to relative nucleophilicity constants of 4.08-3.78. A small but detectable influence of the substituent has been found on these constants, the n(pt) values decreasing in the order H similar to CH3O > Cl > C7H15O similar to t-but similar to I > Br > NO2 > thiourea, Essentially however, the nucleophilicity of the series of N-(n-propyl)-N'-(para-R-benzoyl)-thioureas resembles that of thiourea. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(01)00777-0

文献信息

• Determination of the nucleophilic reactivity constants for a series of N-(n-propyl)-N′-(para-R-benzoyl)thioureas towards trans-[Pt(pyridine)2Cl2]
  作者：Klaus R. Koch、Jörn D.S. Miller、Oliver Seidelmann

  DOI：10.1016/s0020-1693(01)00777-0

  日期：2002.3

  The relative nucleophilic reaction constants n(pt), for a series of N-(n-propyl)-N'-(para-R-benzoyl)thioureas (R = H, CH3O2 (CH3)(3)C, Br, Cl, C7H15O, I, NO2) have been determined for the substrate trans-[PtCl2(pyridine)(2)] in methanol-water (75:25 v/v at 30 degreesC and mu = 0.03). and are compared with that of unsubstituted thiourea. The bimolecular substitution reaction constants k(2) were found to vary from 12.1 +/- 1.3 to 6.0 +/- 0.4 (for thiourea). corresponding to relative nucleophilicity constants of 4.08-3.78. A small but detectable influence of the substituent has been found on these constants, the n(pt) values decreasing in the order H similar to CH3O > Cl > C7H15O similar to t-but similar to I > Br > NO2 > thiourea, Essentially however, the nucleophilicity of the series of N-(n-propyl)-N'-(para-R-benzoyl)-thioureas resembles that of thiourea. (C) 2002 Elsevier Science B.V. All rights reserved.