Dimethyl 4,4-bis[di(propan-2-yl)amino]-1,2,3-triaza-4lambda5-phosphacyclohexa-2,4,6-triene-5,6-dicarboxylate | 150062-69-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Dimethyl 4,4-bis[di(propan-2-yl)amino]-1,2,3-triaza-4lambda5-phosphacyclohexa-2,4,6-triene-5,6-dicarboxylate
• 英文别名: dimethyl 4,4-bis[di(propan-2-yl)amino]-1,2,3-triaza-4λ5-phosphacyclohexa-2,4,6-triene-5,6-dicarboxylate
• CAS: 150062-69-4
• 化学式: C₁₈H₃₄N₅O₄P
• 分子量: 415.473
• InChiKey: OOKYUCYXIWNGRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  28
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  97.8
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  Dimethyl 4,4-bis[di(propan-2-yl)amino]-1,2,3-triaza-4lambda5-phosphacyclohexa-2,4,6-triene-5,6-dicarboxylate 以 甲苯 为溶剂， 反应 13.0h， 生成 dimethyl 2,2-bis[di(propan-2-yl)amino]-1-methyl-6-sulfanylidene-1,5-diaza-2λ5-phosphacyclohexa-2,4-diene-3,4-dicarboxylate
  参考文献：
  名称：

  Bieger, Klaus; Tejeda, Juan; Réau, Régis, Journal of the American Chemical Society, 1994, vol. 116, # 18, p. 8087 - 8094

  摘要：

  DOI：
• 作为产物：
  描述：

  Azidophosphan 、 丁炔二酸二甲酯 以 正戊烷 为溶剂， 反应 12.0h， 以75%的产率得到Dimethyl 4,4-bis[di(propan-2-yl)amino]-1,2,3-triaza-4lambda5-phosphacyclohexa-2,4,6-triene-5,6-dicarboxylate
  参考文献：
  名称：

  Bieger, Klaus; Tejeda, Juan; Réau, Régis, Journal of the American Chemical Society, 1994, vol. 116, # 18, p. 8087 - 8094

  摘要：

  DOI：

文献信息

• Ligand Behavior of a (<i>Z</i>)-Phosphazide (a 1,2,3,4λ⁵-Triazaphosphinine) and of the Corresponding Phosphazene (a 1,2λ⁵-Azaphosphete)
  作者：Klaus Bieger、Ghenwa Bouhadir、Régis Réau、Françoise Dahan、Guy Bertrand

  DOI：10.1021/ja9531440

  日期：1996.1.1

  1,2,3,4 lambda(5)-Triazaphosphinine 1 reacts with PdCl2(PhCN)(2) and W(CO)(5)(THF) at room temperature, affording, according to P-31 NMR spectroscopy, eta(1)-triazaphosphinine complexes 3 and 5, which after elimination of dinitrogen give the bis(eta(1)-azaphosphete)palladium(II) complex 4 and (eta(1)-azaphosphete)W(CO)(5) complex 6, in 65% and 88% yield, respectively. Complex 4 can also be obtained in 90% yield by addition of PdCl2(PhCN)(2) to 1,2 lambda(5)-azaphosphete 2. Addition of cis-Mo(CO)(4)(pip)(2) to 1 leads to (eta(1)-triazaphosphinine)Mo(CO)(4)(pip) complex 7, which was isolated in 70% yield. In solution, at room temperature for 2 days, 7 transforms into to eta(1)-(five-membered cyclophosphazene)Mo(CO)(5) complex 9 in 45% yield. When 2 equiv of W(CO)(5)(pip) is added to 1, complex 10 featuring a five-membered cyclophosphazene bonded to W(CO)(5)(pip) via a hydrogen bond is isolated in 80% yield. 1,2 lambda(5)-Azaphosphete 2 reacts with piperidine, affording five-membered phosphazene ring 11 in 95% yield, which by subsequent treatment with Mo(CO)(5)(pip) and W(CO)(5)(pip) gives complexes 9 (75% yield) and 10 (83% yield), respectively. Schwartz's reagent reacts with 1, affording five-membered zirconacyclophosphazene 12 in 45% yield. Complexes 4, 7, 10, and 12 are characterized by single-crystal X-ray analyses. These results as a whole demonstrate that in contrast with (E)-phosphazides which behave as four-electron donors via the alpha- and gamma-nitrogen atoms and which are stabilized by complexation, (Z)-phosphazides, such as the 1,2,3,4 lambda(5)-triazaphosphinine 1, act as two-electron donors via the beta-nitrogen atom, and are destabilized by the metal with respect to nitrogen elimination.
• 4-π-Electron 4-Membered Phosphorus Heterocycles
  作者：Regis Reau、Antoine Baceiredo、Guy Bertrand

  DOI：10.1080/10426509608545182

  日期：1996.1
• Tejeda, Juan; Réau, Régis; Dahan, Françoise, Journal of the American Chemical Society, 1993, vol. 115, # 17, p. 7880 - 7881
  作者：Tejeda, Juan、Réau, Régis、Dahan, Françoise、Bertrand, Guy

  DOI：——

  日期：——
• Bieger Klaus, Tejeda Juan, Reau Regis, Dahan Francoise, Bertrand Guy, J. Amer. Chem. Soc, 116 (1994) N 18, S 8087-8094
  作者：Bieger Klaus, Tejeda Juan, Reau Regis, Dahan Francoise, Bertrand Guy

  DOI：——

  日期：——
• Bieger, Klaus; Tejeda, Juan; Réau, Régis, Journal of the American Chemical Society, 1994, vol. 116, # 18, p. 8087 - 8094
  作者：Bieger, Klaus、Tejeda, Juan、Réau, Régis、Dahan, Françoise、Bertrand, Guy

  DOI：——

  日期：——