2,3-Dimethyl-5-methoxy-1,4,6,9-tetraoxa-5-phospha-spiro<4.4>-Δ²-nonen | 15661-97-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氧磷杂环戊烷
• 英文名称: 2,3-Dimethyl-5-methoxy-1,4,6,9-tetraoxa-5-phospha-spiro<4.4>-Δ²-nonen
• 英文别名: (5-TB-5-12)-5-methoxy-2,3-dimethyl-1,4,6,9-tetraoxa-5λ⁵-phospha-spiro[4.4]non-2-ene；5-Methoxy-2,3-dimethyl-1,4,6,9-tetraoxa-5lambda5-phosphaspiro[4.4]non-2-ene；5-methoxy-2,3-dimethyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]non-2-ene
• CAS: 15661-97-9
• 化学式: C₇H₁₃O₅P
• 分子量: 208.151
• InChiKey: DOUNUGSVXSRFLY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  46.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  乙二醇 、 2,2,2-三甲氧基-4,5-二甲基-1,3,2-二氧环磷烯 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 生成 2,3-Dimethyl-5-methoxy-1,4,6,9-tetraoxa-5-phospha-spiro<4.4>-Δ²-nonen
  参考文献：
  名称：

  Reaction Kinetics of Oxyphosphoranes with Model Compounds of Nucleosides

  摘要：

  Ester exchange reaction kinetics of oxyphosphoranes with several kinds of alcohols, the model compounds for nucleosides, has been investigated. Comparison of the reaction rates of oxyphosphorane (1) with alcohols indicated that the ester exchange rates of diols were much faster than that of monoalcohols. These results might provide a clue for the intrinsic difference between ribonucleotides and 2'-deoxyribonucleotides. (C) 1997 Academic Press.

  DOI：

  10.1006/bioo.1996.1051

文献信息

• Spirooxyphosphoranes
  作者：F. Ramirez、M. Nagabhushanam、C.P. Smith

  DOI：10.1016/s0040-4020(01)82484-4

  日期：1968.1

  Spirooxyphosphoranes with quintuply-connected phosphorus were made from the reaction of phenanthrenequinone, benzil, biacetyl, and 1-phenylpropanedione with 5-membered and 6-membered cyclic phosphite esters and amides. The P31 NMR spectra were compared with those of the oxyphosphoranes derived from open-chain trimethyl and triphenyl phosphites. Further comparisons were made with spiroaminooxyphosphoranes

  带有五重连接磷的螺氧基磷烷是由菲醌，苯甲酰，联乙酰和1-苯基丙烷二酮与5元和6元环状亚磷酸酯和酰胺反应制得的。将P 31 NMR光谱与衍生自开链亚磷酸三甲酯和亚磷酸三苯酯的氧代膦酸酯的光谱进行了比较。与螺氨基氧基膦进行的进一步比较导致P 31的正值大大降低NMR位移，Δ≅20至23 ppm。6元环的影响可以忽略不计。在五元环丙氧基磷杂环戊烷中用氮取代内环氧导致位移的正值Δ≅5 ppm略有增加。用氮替代环外氧会导致位移的正值Δ≅2至4 ppm略有下降。亚磷酸亚乙酯和2，2-二甲基-13-丙二醇环状亚磷酸酯的苯酯对α-二羰基化合物的反应性低于相应的甲酯。
• Method for production of cephalosporin compounds
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0074611A2

  公开（公告）日：1983-03-23

  A novel method of producing a cephalosporin compound of the formula wherein R' is a hydrogen atom or an acyl group; R is a hydrogen atom or an ester residue; the dotted line means a double bond in 2- or 3-position of the cephem ring; and R4 is a nucleophilic compound residue, or a salt thereof, directly in one step from a compound of the formula wherein R', R and the dotted line have the meanings defined above, or a salt thereof, by reacting in the presence of an organic solvent the compound [II] or a salt thereof, a nucleophilic compound or a salt thereof, and (1) a trivalent or pentavalent cyclic phosphorus compound having a partial structure of the formula wherein W is an oxygen atom, a sulfur atom or NR2; W1 is an oxygen atom, a sulfur atom or NR3; and R and R3 may be the same or different and each means a hydrogen atom or a hydrocarbon group, or a salt thereof, or (2) a reaction product of a compound having a partial structure of the formula wherein W and W' have the same meanings as defined above, or a salt thereof, with a phosphorus oxyhalide, trihalide or pentahalide.

  一种生产式如下的头孢菌素化合物的新方法 其中 R'是氢原子或酰基；R 是氢原子或酯残基；虚线表示头孢环 2 位或 3 位的双键；R4 是亲核化合物残基或其盐。 其中 R'、R 和虚线具有上文定义的含义，或其盐，通过在有机溶剂存在下，使化合物 [II] 或其盐、亲核化合物或其盐和 (1) 部分结构如式的三价或五价环状磷化合物反应而成 其中 W 是氧原子、硫原子或 NR2；W1 是氧原子、硫原子或 NR3；R 和 R3 可以相同或不同，且各指一个氢原子或一个烃基，或其盐，或 (2) 部分结构如式的化合物的反应产物 其中 W 和 W' 的含义与上述定义相同，或其盐与氧卤化磷、三卤化磷或五卤化磷的反应产物。
• Antibacterial compounds
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0216385A2

  公开（公告）日：1987-04-01

  A compound having the general formula wherein, R° is a hydrogen atom, a nitrogen-containing heterocyclic group, an acyl group or an amino-protective group; Z is S, S→0,0 or CH2; R4 is a hydrogen atom, a methoxy group, or a formamide group; R" is a hydrogen atom, a methyl group, a hydroxyl group, or a halogen atom; A is a condensed triazolio group which may be substituted, or a pharmaceutically acceptable salt or ester thereof is novel and has an excellent antibacterial activity.

  通式如下的化合物 其中，R° 是氢原子、含氮杂环基团、酰基或氨基保护基团；Z 是 S、S→0,0 或 CH2；R4 是氢原子、甲氧基或甲酰胺基团；R "是氢原子、甲基、羟基或卤素原子；A 是可被取代的缩合三唑基团，或其药学上可接受的盐或酯。
• Antibacterial compounds, their production and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0203271B1

  公开（公告）日：1993-05-26
• Cephem compounds
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0164122B1

  公开（公告）日：1990-09-19