8-Chloro-2,2-dimethyl-8-sulfanylidene-7,9-dioxa-8lambda5-phosphatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaene | 1146199-15-6

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 8-Chloro-2,2-dimethyl-8-sulfanylidene-7,9-dioxa-8lambda5-phosphatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaene
• 英文别名: 8-chloro-2,2-dimethyl-8-sulfanylidene-7,9-dioxa-8λ5-phosphatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaene
• CAS: 1146199-15-6
• 化学式: C₁₅H₁₄ClO₂PS
• 分子量: 324.768
• InChiKey: ZEAQXHDDZRJETC-UHFFFAOYSA-N

物化性质

• 熔点：
  70-72 °C
• 沸点：
  391.2±45.0 °C(predicted)
• 密度：
  1.36±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  50.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  8-Chloro-2,2-dimethyl-8-sulfanylidene-7,9-dioxa-8lambda5-phosphatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaene 在 氨 作用下， 以 苯 为溶剂， 反应 2.0h， 以61%的产率得到C₁₅H₁₆NO₂PS
  参考文献：
  名称：

  Some O,O′,O″,O‴-di/tetra aryldithioimidophonate transition metal complexes derived from catechol and bisphenol-A as antibacterial and antifungal agents

  摘要：

  Two new substituted-thioimidophonate derivatives H1L1 (O,O',O '',O '''-diaryldithioimidophonates) and H1L2 (O,O',O '',O '''-tetra aryldithioimidophonates) were synthesized. These thioimidophonates are potential ligands towards transition metal ions. The reaction of M(H) acetates (M(II) = Mn(II), Co(II), Ni(II), Cu(II), and Zn(II)) with H1L1 and H1L2 resulted in the formation of solid complexes with the composition (L-1/L-2)(2)M(II). These compounds were characterized through elemental analysis, electrical conductance, infrared, electronic spectra, nmr, magnetic susceptibilities etc. Vibrational mode assignments of nu(PN), nu(PS), nu(MS), phenyl and methyl group bands are made. Structural and bonding changes are correlated with these vibrational frequencies. All the compounds were screened for their antibacterial and antifungal properties and have exhibited potential activities with MIC (0.09-1.50 mu g/ml). (c) 2008 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2008.04.008
• 作为产物：
  描述：

  双酚A 在 sodium hydroxide 、 三氯硫磷 、 苄基三乙基氯化铵 作用下， 以 水 、 苯 为溶剂， 以75%的产率得到8-Chloro-2,2-dimethyl-8-sulfanylidene-7,9-dioxa-8lambda5-phosphatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaene
  参考文献：
  名称：

  Some O,O′,O″,O‴-di/tetra aryldithioimidophonate transition metal complexes derived from catechol and bisphenol-A as antibacterial and antifungal agents

  摘要：

  Two new substituted-thioimidophonate derivatives H1L1 (O,O',O '',O '''-diaryldithioimidophonates) and H1L2 (O,O',O '',O '''-tetra aryldithioimidophonates) were synthesized. These thioimidophonates are potential ligands towards transition metal ions. The reaction of M(H) acetates (M(II) = Mn(II), Co(II), Ni(II), Cu(II), and Zn(II)) with H1L1 and H1L2 resulted in the formation of solid complexes with the composition (L-1/L-2)(2)M(II). These compounds were characterized through elemental analysis, electrical conductance, infrared, electronic spectra, nmr, magnetic susceptibilities etc. Vibrational mode assignments of nu(PN), nu(PS), nu(MS), phenyl and methyl group bands are made. Structural and bonding changes are correlated with these vibrational frequencies. All the compounds were screened for their antibacterial and antifungal properties and have exhibited potential activities with MIC (0.09-1.50 mu g/ml). (c) 2008 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2008.04.008

文献信息

• Some O,O′,O″,O‴-di/tetra aryldithioimidophonate transition metal complexes derived from catechol and bisphenol-A as antibacterial and antifungal agents
  作者：Vikrant Kumar、Tansir Ahamad、N. Nishat

  DOI：10.1016/j.ejmech.2008.04.008

  日期：2009.2

  Two new substituted-thioimidophonate derivatives H1L1 (O,O',O '',O '''-diaryldithioimidophonates) and H1L2 (O,O',O '',O '''-tetra aryldithioimidophonates) were synthesized. These thioimidophonates are potential ligands towards transition metal ions. The reaction of M(H) acetates (M(II) = Mn(II), Co(II), Ni(II), Cu(II), and Zn(II)) with H1L1 and H1L2 resulted in the formation of solid complexes with the composition (L-1/L-2)(2)M(II). These compounds were characterized through elemental analysis, electrical conductance, infrared, electronic spectra, nmr, magnetic susceptibilities etc. Vibrational mode assignments of nu(PN), nu(PS), nu(MS), phenyl and methyl group bands are made. Structural and bonding changes are correlated with these vibrational frequencies. All the compounds were screened for their antibacterial and antifungal properties and have exhibited potential activities with MIC (0.09-1.50 mu g/ml). (c) 2008 Elsevier Masson SAS. All rights reserved.