| 161868-62-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物
• CAS: 161868-62-8；52038-97-8
• 化学式: C₁₄H₂₀N₂O₆P₂S₂
• 分子量: 438.402
• InChiKey: QAQRXRXRDAQYBE-HEEUSZRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.61
• 重原子数：
  26.0
• 可旋转键数：
  10.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  118.64
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  在 4-二甲氨基吡啶 、 potassium carbonate 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 17.0h， 生成 2-tert-butoxycarbonylamino-5-cyano-6-phenyl-4-thioxo-4H-pyran-3-ylphosphonic acid diethyl ester
  参考文献：
  名称：

  Synthesis and Chemical Reactions of New Phosphono-phosphino Substituted g-Thiapyrones

  摘要：

  1,3-Dithietane-2,4-diylidenebis(cyanomethylphosphonates) and -phenylphosphinates (1/2) react with various substituted acetonitriles (3) to give phosphono-phosphino substituted gamma-thiapyrones (4/5). The constitution of one reaction product is confirmed by an X-ray crystal structure analysis (4.2 c). The gamma-thiapyrones are converted to boc-protected gamma-thiapyrones (6/7) and to gamma-pyrones (8/9) via oxidation.

  DOI：

  10.3987/com-97-s(n)9
• 作为产物：
  描述：

  氰甲基磷酸二乙酯 以54%的产率得到
  参考文献：
  名称：

  Neidlein Richard, Jochheim Monika, Krieger Claus, Kramer Walter, Heterocycles, 39 (1994) N 1, S 185-203

  摘要：

  DOI：

文献信息

• General Approach for Regioselective Synthesis of Fused Phosphono Substituted-Heterocycles. Reactions of Bismethylene-1,3-dithietane with H -Nucleophiles
  作者：Wafaa Abdou、Yehia Elkhoshnieh、Neven Ganoub

  DOI：10.1080/10426500212250

  日期：2002.6.1

  A number of [2,1-b] fused phosphono substituted-thioxopyranes, -oxadiazines, and -thiazines were obtained from the reactions of the corresponding alpha-carbonyl methylenes and alpha-carbonylmonohydrazones with phosphenato-substituted 1,3dithietane 1.
• Synthesis of 1,3-Dithietane-2,4-diylidenebis(cyanomethylphosphonates) and -phenyl-phosphinates and Their Reaction with Carboxylic Acid Hydrazides
  作者：Richard Neidlein、Monica Jochheim、Claus Krieger、Walter Kramer

  DOI：10.3987/com-93-s(b)14

  日期：——

  1,3-Dithietane-2,4-diylidenebis(cyanomethylphosphonates) and -phenylphosphinates react with carboxylic acid hydrazides to yield tautomeric derivatives of 1,3,4-oxadiazoles. One of the starting materials as well as one of the reaction products is examined by X-ray crystal structure analysis.