[(2-羟基-2-氧代-1,4,2-氧氮杂磷杂环己烷-4-基)甲基]膦酸 | 32422-02-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧氮杂膦
• 中文名称: [(2-羟基-2-氧代-1,4,2-氧氮杂磷杂环己烷-4-基)甲基]膦酸
• 英文名称: 2-hydroxy-2-oxo-1,4,2-oxa-aza-phospha(V)cyclohexane-4-methylenephosphonic acid
• 英文别名: [(2-hydroxy-2-oxido-1,4,2-oxazaphosphinan-4-yl)methyl]phosphonic acid；4-(phosphonomethyl)-2-hydroxy-2-oxo-1,4,2-oxazaphosphorinane；4-(phosphonmethyl)-2-hydroxy-2-oxo-1,4,2-oxazaphosphorinane；H3poap；H2O3PCH2NCH2(CH2CH2OPO2H)；Phosphonic acid, ((tetrahydro-2-hydroxy-2-oxido-4H-1,4,2-oxazaphosphorin-4-yl)methyl)-；(2-hydroxy-2-oxo-1,4,2λ5-oxazaphosphinan-4-yl)methylphosphonic acid
• CAS: 32422-02-9
• 化学式: C₄H₁₁NO₆P₂
• 分子量: 231.082
• InChiKey: BFEMYVYZNSBRML-UHFFFAOYSA-N

物化性质

• 沸点：
  485.7±55.0 °C(Predicted)
• 密度：
  1.72±0.1 g/cm3(Predicted)
• 物理描述：
  Liquid

计算性质

• 辛醇/水分配系数(LogP)：
  -5.2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  107
• 氢给体数：
  3
• 氢受体数：
  7

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  [(2-羟基-2-氧代-1,4,2-氧氮杂磷杂环己烷-4-基)甲基]膦酸 在 basic copper(II) carbonate 、 water 作用下， 以 neat (no solvent) 为溶剂， 生成
  参考文献：
  名称：

  Structure of the dihydrate of the protonated copper(II) complexonate based on 4-(phosphonomethyl)-2-hydroxy-2-oxo-1,4,2-oxazaphosphorinane

  摘要：

  DOI：

  10.1007/bf00748151
• 作为产物：
  描述：

  [[(2-羟基乙基)亚氨基]二(亚甲基)]二膦酸 生成 [(2-羟基-2-氧代-1,4,2-氧氮杂磷杂环己烷-4-基)甲基]膦酸
  参考文献：
  名称：

  Molecular structure of 4-(phosphonomethyl)-2-hydroxy-2-oxo-1, 4,2-oxazaphosphorinane

  摘要：

  DOI：

  10.1007/bf00948882

文献信息

• Lanthanide(<scp>iii</scp>) oxalatophosphonates: syntheses, crystal structures and luminescence properties
  作者：Cheng-Qi Jiao、Ji-Cai Zhang、Yan Zhao、Zhen-Gang Sun、Yan-Yu Zhu、Lu-Lu Dai、Shao-Ping Shi、Wei Zhou

  DOI：10.1039/c3dt51618k

  日期：——

  a 2D layered structure, namely, [Ln(H2L)(C2O4)(H2O)]·2H2O [Ln = Nd (1), Sm (2), Eu (3), Tb (4), Dy (5), H3L = H2O3PCH2NCH2(CH2CH2OPO2H)], have been hydrothermally synthesized and structurally characterized by X-ray single-crystal diffraction, X-ray powder diffraction, infrared spectroscopy, elemental analysis and thermogravimetric analysis. Compounds 1–5 are isostructural and exhibit a 2D layer formed

  通过引入草酸盐作为第二个配体，五个具有2D层状结构的镧系元素草酸膦酸酯杂化物即[Ln（H 2 L）（C 2 O 4）（H 2 O）]·2H 2 O [Ln = Nd （1），Sm（2），Eu（3），Tb（4），Dy（5），H 3 L = H 2 O 3 PCH 2 NCH 2（CH 2 CH 2 OPO 2H）]，已经水热合成并通过X射线单晶衍射，X射线粉末衍射，红外光谱，元素分析和热重分析进行结构表征。化合物1-5是同构的，并显示通过Ln（C 2 O 4）} +的1D之字形链与膦酸酯配体相互连接形成的2D层。镧系元素的收缩效应导致晶格参数和晶体尺寸从Nd减小到Dy。已经研究了化合物2–5的发光特性。
• Synthesis, crystal structure and characterizations of a novel lanthanide oxalatophosphonate with a 3D open-framework structure [Gd2{HO3PCH2NHCH2(CH2CH2OPO2)}(C2O4)2.5(H2O)2]·5H2O
  作者：Yan Zhao、Jing Li、Zhen-Gang Sun、Jing Zhang、Yan-Yu Zhu、Xin Lu、Lei Liu、Na Zhang

  DOI：10.1016/j.inoche.2008.05.030

  日期：2008.9

  A novel lanthanide oxalatophosphonate, [Gd 2 HO 3 PCH 2 NHCH 2 (CH 2 CH 2 OPO 2 )}(C 2 O 4 ) 2.5 (H 2 O) 2 ] · 5H 2 O 1 has been synthesized by hydrothermal reaction at 140 °C and structurally characterized by single-crystal X-ray diffraction as well as with infrared spectroscopy, elemental analysis and thermogravimetric analysis. The interconnection of gadolinium(Ш) ions by bridging H 2 L – anions

  通过水热反应合成了一种新型镧系草酸膦酸盐[Gd 2 HO 3 PCH 2 NHCH 2 (CH 2 CH 2 OPO 2 )}(C 2 O 4 ) 2.5 (H 2 O) 2 ] · 5H 2 O 1 140 °C 并通过单晶 X 射线衍射以及红外光谱、元素分析和热重分析进行结构表征。钆 (Ш) 离子通过桥连 H 2 L - 阴离子互连，形成沿 a 轴具有通道的 3D 开放框架结构。通道由6个钆(Ш)离子和6个H 2 L - 阴离子组成的44元环形成。螯合和桥接草酸盐存在于沿 a 方向延伸的通道表面。
• Intramolecular cyclization of 1,3-diamino-2-hydroxypropan-N,N,N´,N´-tetrakis(methylphosphonic acid) upon phosphonomethylation of 1,3-diaminopropan-2-ol
  作者：N. V. Tsirul´nikova、Ya. V. Bolt、S. K. Belus

  DOI：10.1007/s11172-015-1001-8

  日期：2015.5

  Phosphonomethylation of 1,3-diaminopropan-2-ol affords the mixture of 1,3-diamino-2-hydroxypropan-N,N,N´,N´-tetrakis(methylphosphonic acid) (1) with its cyclic ether, viz., [(6-[bis(phosphonomethyl)amino]methyl-2-hydroxy-2-oxido-1,4,2-oxazaphosphinan-4-yl)methyl]phosphonic acid (2), but not 1, as assumed earlier.

  1,3-二氨基丙烷-2-醇的磷酰甲基化反应生成1,3-二氨基-2-羟基丙烷-N,N,N´,N´-四(甲基膦酸) (1) 及其环醚，即 [(6-[双(膦酰甲基)氨基]甲基-2-羟基-2-氧代-1,4,2-恶唑磷杂环己烷-4-基)甲基]膦酸 (2)，而不是之前假设的1。
• Dhawan, Balram; Redmore, Derek, Phosphorus, Sulfur and Silicon and the Related Elements, 1990, vol. 48, # 1-4, p. 41 - 47
  作者：Dhawan, Balram、Redmore, Derek

  DOI：——

  日期：——
• 2-Hydroxy-2-oxo-1,4,2-oxa-aza-phospha(V) cyclohexane-4-methylene phosphonic acid (OAPhMPh): its structure and symmetry by vibrational spectroscopy
  作者：B.M Vuano、S.G Acebal、O Sala、O Brieux、O.I Pieroni

  DOI：10.1016/j.molstruc.2003.11.034

  日期：2004.3

  2-Hydroxy-2-oxo-1,4,2-oxa-aza-phospha(V) cyclohexane-4-methylene phosphonic acid (OAPhMPh) was obtained by a Mannich type reaction. From NMR spectroscopy a chair-conformed heterocyclic structure is suggested. Infrared and Raman data are in agreement with this symmetry and show no evidence of dimeric structure. (C) 2003 Elsevier B.V. All rights reserved.