1,3,5-Triethyl-2,4,6-trichlorocyclotriphosph(III)azan | 1679-92-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1,3,5-Triethyl-2,4,6-trichlorocyclotriphosph(III)azan
• 英文别名: 2,4,6-Trichloro-1,3,5-triethyl-1,3,5,2,4,6-triazatriphosphinane
• CAS: 1679-92-1
• 化学式: C₆H₁₅Cl₃N₃P₃
• 分子量: 328.485
• InChiKey: AGIMTEHNWZWNPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  9.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,3,5-Triethyl-2,4,6-trichlorocyclotriphosph(III)azan 在 氧气 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以50%的产率得到2,4,6-Trichloro-1,3,5-triethyl-[1,3,5,2,4,6]triazatriphosphinane 2-oxide
  参考文献：
  名称：

  Harvey, David A.; Keat, Rodney; Rycroft, David S., Journal of the Chemical Society, Dalton Transactions, 1983, p. 425 - 432

  摘要：

  DOI：
• 作为产物：
  描述：

  N,N-ethylamin 生成 1,3,5-Triethyl-2,4,6-trichlorocyclotriphosph(III)azan
  参考文献：
  名称：

  HARVEY, D. A.;KEAT, R.;RYCROFT, D. S., J. CHEM. SOC. DALTON TRANS., 1983, N 3, 425-431

  摘要：

  DOI：

文献信息

• Metal Containing New Inorganic Ring Systems Based on Siloxane and Phosphazane Frameworks
  作者：Ramaswamy Murugavel、Ganesan Prabusankar、Vivekanand S. Shete、Kanhayalal Baheti

  DOI：10.1080/10426500108546565

  日期：2001.1.1

  represents the first ever molecular silicophosphonate to be isolated bearing free reactive hydroxyl groups. The structure and conformation of the bulky aryloxide substituted λ3-cyclotriphosphazane derivative [EtNP(OAr)]3 (Ar = 2,6-iPr2C6H3) (2) has also been investigated. Interaction of 2 with transition metal precursor complexes leads to the isolation of phosphazane metal complexes with different

  高场 31P NMR 光谱和单晶 X 射线衍射研究已用于研究 λ3-环三磷氮烷 [EtNPCl]3 的开环和亲核取代反应。开环硅膦酸酯 [RSi(OH)OP(O)(H)(OH)}]2O (R = (2,6-iPr2C6H3)NSiMe3) (1) 的合成代表了第一个被分离的分子硅膦酸酯带有游离的活性羟基。还研究了庞大的芳氧化物取代的 λ3-环三磷氮烷衍生物 [EtNP(OAr)]3 (Ar = 2,6-iPr2C6H3) (2) 的结构和构象。2与过渡金属前体配合物的相互作用导致分离出具有不同配位模式的2的磷氮烷金属配合物。此外，Cp ★Ti(OAr)Cl2 (Ar = 2, 6-(CH3)2C6H3OH) 与 OSiPh2(OH)}2 得到八元三钛硅氧烷 [Cp ★Ti(Cl) (O(SiPh2O)2SiPh2O) (3)。在产品中观察到硅氧烷链膨胀效应，推测是环应变的结果。3 中活性
• Triphosph(iii)azanes to diphosph(iii)azanes; a cracking transformation
  作者：Felipe García、Richard A. Kowenicki、Lucía Riera、Dominic S. Wright

  DOI：10.1039/b505720e

  日期：——

  The reversible interconversion between trimeric [ClPNEt]3 and dimeric [ClPNEt]2 reported here is the first observation of such a thermally induced rearrangement between two cyclophosphazane oligomers; the structure of 1.cis is reported along with NMR studies of its conversion into 2.

  本文报道的三聚体[ClPNEt] 3和二聚体[ClPNEt] 2之间可逆的相互转化是在两个环磷氮烷低聚物之间这种热诱导的重排的首次观察。报道了1.cis的结构以及将其转化为2的NMR研究。
• CONFORMATIONS OF (ARYLOXY)-δ³-CY CLOTRIPHOSPHAZANES. SINGLE CRYSTAL X-RAY STRUCTURES OF [EtNP(OR)]₃ [R=C₆H₄Br-2 (CIS), C₆H₃Me₂-2,6 (TRANS)]
  作者：Natesan Thirupathi、Setharampattu S. Krishnamurthy、Munirathinam Nethaji

  DOI：10.1080/10426509708044215

  日期：1997.4.1

  (303–363 K) 31P NMR studies on cis-[EtNP(Oc6H4Br-2)]3 indicate its slow conversion to the trans-analogue with increasing temperature. The structure of cis-[EtNP(OC6H4Br-2)]3 and the previously known trans-[EtNP(OC6H3Me2-2,6)]3 have been determined by single crystal X-ray analysis. The six-membered P3N3 ring adopts a chair and a twist conformation in cis-[EtNP(OC6H4Br-2)]3 and trans- [EtNP(OC6H3Me2-2,6)]3 respectively

  摘要 在二氮杂双环辛烷存在下，δ3-环三磷氮烯 (EtNPCl)3 与 2-溴或 2-硝基苯酚反应生成 [EtNP(OC6H4X-2)]3 (X=Br 或 NO2) 的顺反异构混合物。 ) 顺式-[EtNP(OC6H4Br-2)]3 或反式-[EtNP(OC6H4 -2)]3 通过分步结晶以纯态分离。这两种化合物已通过元素分析和 NMR（31P、13C 和 1H）光谱数据进行表征。顺式-[EtNP(Oc6H4Br-2)]3 的变温 (303–363 K) 31P NMR 研究表明，随着温度升高，其向反式类似物的转化缓慢。顺式-[EtNP(OC6H4Br-2)]3 和先前已知的反式-[EtNP(OC6H3Me2-2,6)]3 的结构已通过单晶 X 射线分析确定。六元P3N3环分别在顺式-[EtNP(OC6H4Br-2)]3和反式-[EtNP(OC6H3Me2-2,6)]3中采用椅子和扭曲构象。将结构特征与观察到的其他
• 11. Reactions of aminosilanes and disilazanes with halogeno-compounds of phosphorus and arsenic
  作者：E. W. Abel、D. A. Armitage、G. R. Willey

  DOI：10.1039/jr9650000057

  日期：——
• Synthesis, spectral characterisation and single-crystal structure of a bicyclic tetraphosphapentazane tetraoxide, N5P4ET5O4(OC6H3Me2-2,6)2
  作者：Ramaswamy Murugavel、Setharampattu S. Krishnamurthy、Munirathinam Nethaji

  DOI：10.1039/dt9930002569

  日期：——

  Reaction of the bicyclic phosphazane N5P4Et5Cl2 with 2,6-dimethylphenol and subsequent oxidation of the product by aqueous hydrogen peroxide yields N5P4Et5O4(OC6H3Me2-2,6)2 in 85% yield. Its structure has been established by NMR spectroscopy and single-crystal X-ray diffraction. The compound crystallises in the monoclinic space group C2/c with a = 21.245(5), b = 10.879(2), c = 16.450(6) angstrom, beta = 123.94(2)degrees, Z = 4, R = 0.066. The structural features are compared with those of bicyclic lambda5-phosphazenes of type N5P4R3(NR1R2)5(NHR3) (R1,R3 = Me or Et, R2 = H or Me). The observed conformation of the N3P3 rings in the present compound is mainly dictated by the maximisation of the stabilising influence of 'negative hyperconjugative interactions' between the nitrogen lone pairs and the adjacent P-X sigma* orbitals.