ethyl hydrogen (Z)-oct-1-en-3-ynylphosphonate | 862206-09-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物
• 英文名称: ethyl hydrogen (Z)-oct-1-en-3-ynylphosphonate
• 英文别名: ethoxy-[(Z)-oct-1-en-3-ynyl]phosphinic acid
• CAS: 862206-09-5
• 化学式: C₁₀H₁₇O₃P
• 分子量: 216.217
• InChiKey: NHXMJEKJKKIJSE-KTKRTIGZSA-N

物化性质

• 沸点：
  308.0±44.0 °C(Predicted)
• 密度：
  1.089±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl hydrogen (Z)-oct-1-en-3-ynylphosphonate 在 silver carbonate 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 生成 6-butyl-2-ethoxy-1,2-oxaphosphorin 2-oxide
  参考文献：
  名称：

  Synthesis of 2H-1,2-Oxaphosphorin 2-Oxides via Ag₂CO₃-Catalyzed Cyclization of (Z)-2-Alken-4-ynylphosphonic Monoesters

  摘要：

  Six new 2-ethoxy-2H-1,2-oxaphosphorin 2-oxides were synthesized with high regioselectivity in good yields via Ag2CO3-Catalyzed cyclization of (2)-2-alken-4-ynylphosphonic monoesters in CH2Cl2 at room temperature. This cyclization of P-OH to substituted alkynes is reported for the first time. The products are a class of phosphorus heterocycles with potential use and are heretofore prepared with difficulty.

  DOI：

  10.1021/ol051126+
• 作为产物：
  描述：

  diethyl (Z)-oct-1-en-3-ynylphosphonate 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 生成 ethyl hydrogen (Z)-oct-1-en-3-ynylphosphonate
  参考文献：
  名称：

  Synthesis of 2H-1,2-Oxaphosphorin 2-Oxides via Ag₂CO₃-Catalyzed Cyclization of (Z)-2-Alken-4-ynylphosphonic Monoesters

  摘要：

  Six new 2-ethoxy-2H-1,2-oxaphosphorin 2-oxides were synthesized with high regioselectivity in good yields via Ag2CO3-Catalyzed cyclization of (2)-2-alken-4-ynylphosphonic monoesters in CH2Cl2 at room temperature. This cyclization of P-OH to substituted alkynes is reported for the first time. The products are a class of phosphorus heterocycles with potential use and are heretofore prepared with difficulty.

  DOI：

  10.1021/ol051126+