P,P-dimethyl-P',P'-diphenyl-P'-thioimidodiphosphinic acid | 56918-09-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: P,P-dimethyl-P',P'-diphenyl-P'-thioimidodiphosphinic acid
• 英文别名: [(Dimethylphosphorylamino)-phenylphosphinothioyl]benzene
• CAS: 56918-09-3
• 化学式: C₁₄H₁₇NOP₂S
• 分子量: 309.309
• InChiKey: OIYBFIRNJKVKCY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  61.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  P,P-diphenylphosphinothioic amide 、 二甲基氯氧化磷 在 正丁基锂 作用下， 生成 P,P-dimethyl-P',P'-diphenyl-P'-thioimidodiphosphinic acid
  参考文献：
  名称：

  NEW VERSATILE ORGANOPHOSPHORUS LIGANDS. CRYSTAL AND MOLECULAR STRUCTURES OF ISOMERIC P, P-DIMETHYL-P′,P′-DIPHENYL-P-THIOIMIDODIPHOSPHINIC AND P,P-DIMETHYL-P′,P′-DIPHENYL-P′-THIOIMIDODIPHOSPHINIC ACIDS

  摘要：

  The synthesis of isomeric (SPMe2)(OPPh2)NH I and (OPMe2)(SPPh2)NH 2 from Li[HN(S)PR2] and R-2'P(O)Cl. as well as of their K and Na salts, are presented. The compounds were characterized by means of IR and multinuclear NMR spectroscopy. The crystal and molecular structure of both free acids was determined using X-ray diffractometry. Compound 1 crystallizes in monoclinic space group: P2(1)/n, a = 16.798(6) Angstrom, b = 17.526(8) Angstrom, c = 18. 095(7) Angstrom, beta =114.72(2)degrees, Z = 12, and the unit cell contains three independent molecules. Compound 2 crystallizes in orthorhombic space group Fdd2, a = 15.072(7) Angstrom b = 43.078(6) Angstrom, c = 9.912(8) Angstrom, Z = 16. In both compounds the molecular units are associated into polymeric chains through N-H . . .O [1.96 Angstrom (mean) in 1, and 1.8 Angstrom in 2] hydrogen bonds. which involve only the oxygen atom of each molecule. The conformation of the SPNPO system is discussed.

  DOI：

  10.1080/10426509808036989