<(1-cyclohexen-1-yl)ethynyl>phosphonic dichloride | 79750-05-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 英文名称: <(1-cyclohexen-1-yl)ethynyl>phosphonic dichloride
• 英文别名: [(1-cyclohexen-1-yl)ethynyl]phosphonic dichloride；1-(2-Dichlorophosphorylethynyl)cyclohexene
• CAS: 79750-05-3
• 化学式: C₈H₉Cl₂OP
• 分子量: 223.039
• InChiKey: YKWJDUDADNZKGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  <(1-cyclohexen-1-yl)ethynyl>phosphonic dichloride 在 吡啶 、 三氟化硼乙醚 、 mercury(II) oxide 、 三氯乙酸 作用下， 以 甲醇 、 乙醚 为溶剂， 反应 7.0h， 生成 2-oxo-2(1-cyclohexenyl)ethanephosphonic acid dimethyl ester
  参考文献：
  名称：

  HYDRATION REACTIONS OF PHOSPHORYLATED 1,3-ENYNES

  摘要：

  Hydration of the 3-alkene-1-ynephosphonic dimethyl esters 3 in the presence of a mixture of mercuric sulfate and sulfuric acid as a catalyst takes place with addition of water to the triple bond and hydrolysis of the phosphonate group with formation of the 2-oxo-3-alkenephosphonic acids 4, Ketalation of the 3-alkene-1-ynephosphonic dimethyl esters 3 with methanol using as a catalyst a mixture of yellow mercuric oxide, trichloroacetic acid and boron trifluoride etherate and subsequent hydrolysis of the prepared phosphorylated ketals B leads to the 2-oxo-3-alkenephosphonic dimethyl esters 5. Treatment of 3 with water in the presence of concentrated hydrochloric acid yields the 3-alkene-1-ynephosphonic acids 6.

  DOI：

  10.1080/10426509908044971
• 作为产物：
  描述：

  dichloride of cyclohexylidene vinylphosphonic acid 在 氯 、 三乙胺 作用下， 以 四氯化碳 、 苯 为溶剂， 反应 7.0h， 生成 <(1-cyclohexen-1-yl)ethynyl>phosphonic dichloride
  参考文献：
  名称：

  Angelov, Kh. M.; Khristov, V. Kh; Ionin, B. I., Journal of general chemistry of the USSR, 1981, vol. 51, # 6, p. 1041 - 1045

  摘要：

  DOI：

文献信息

• ANGELOV X. M.; XRISTOV V. X.; IONIN B. I., ZH. OBSHCH. XIMII, 1981, 51, HO 6, 1230-1235
  作者：ANGELOV X. M.、 XRISTOV V. X.、 IONIN B. I.

  DOI：——

  日期：——
• Angelov, Kh. M.; Khristov, V. Kh; Ionin, B. I., Journal of general chemistry of the USSR, 1981, vol. 51, # 6, p. 1041 - 1045
  作者：Angelov, Kh. M.、Khristov, V. Kh、Ionin, B. I.

  DOI：——

  日期：——
• HYDRATION REACTIONS OF PHOSPHORYLATED 1,3-ENYNES
  作者：Valerij Ch. Christov、Veneta M. Aladinova、Boris Prodanov

  DOI：10.1080/10426509908044971

  日期：1999.12

  Hydration of the 3-alkene-1-ynephosphonic dimethyl esters 3 in the presence of a mixture of mercuric sulfate and sulfuric acid as a catalyst takes place with addition of water to the triple bond and hydrolysis of the phosphonate group with formation of the 2-oxo-3-alkenephosphonic acids 4, Ketalation of the 3-alkene-1-ynephosphonic dimethyl esters 3 with methanol using as a catalyst a mixture of yellow mercuric oxide, trichloroacetic acid and boron trifluoride etherate and subsequent hydrolysis of the prepared phosphorylated ketals B leads to the 2-oxo-3-alkenephosphonic dimethyl esters 5. Treatment of 3 with water in the presence of concentrated hydrochloric acid yields the 3-alkene-1-ynephosphonic acids 6.