1-Dichlorophosphoryl-3,4-dimethylpent-3-en-1-yne | 70761-54-5

• 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-Dichlorophosphoryl-3,4-dimethylpent-3-en-1-yne
• CAS: 70761-54-5
• 化学式: C₇H₉Cl₂OP
• 分子量: 211.028
• InChiKey: BWGGJPWTENWCFS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.43
• 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-Dichlorophosphoryl-3,4-dimethylpent-3-en-1-yne 在 吡啶 、 盐酸 、 水 作用下， 以 乙醚 为溶剂， 反应 6.0h， 生成 3,4-dimethyl-3-pentene-1-ynephosphonic acid
  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：

  (1E)-2-chloro-1-dichlorophosphoryl-3,4-dimethylpenta-1,3-diene 在 三乙胺 作用下， 以 苯 为溶剂， 生成 1-Dichlorophosphoryl-3,4-dimethylpent-3-en-1-yne
  参考文献：
  名称：

  Angelov,Kh.M. et al., Journal of general chemistry of the USSR, 1979, vol. 49, p. 866 - 869

  摘要：

  DOI：

文献信息

• ANGELOV X. M.; IGNATEV V. M.; DOGADINA A. V.; ZAXAROV V. I.; IONIN B. I.;+, ZH. OBSHCH. XIMII, 1979, 49, HO 5, 1000-1004
  作者：ANGELOV X. M.、 IGNATEV V. M.、 DOGADINA A. V.、 ZAXAROV V. I.、 IONIN B. I.、+

  DOI：——

  日期：——
• Angelov,Kh.M. et al., Journal of general chemistry of the USSR, 1979, vol. 49, p. 866 - 869
  作者：Angelov,Kh.M. et al.

  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.