sodium phenylphosphonate

• 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: sodium phenylphosphonate
• 英文别名: disodium phenylphosphonate；phenylphosphonic acid disodium salt；sodium;dioxido-oxo-phenyl-λ5-phosphane
• 化学式: C₆H₅O₃P*2Na
• 分子量: 202.057
• InChiKey: YAFMWYFNZXHBDZ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -3.77
• 重原子数：
  11.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  63.19
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  cobalt(II) nitrate hexahydrate 、 sodium phenylphosphonate 在 sodium dodecyl benzene sulfonate 作用下， 以 水 为溶剂， 生成 cobalt(II) phenylphosphonate monohydrate
  参考文献：
  名称：

  Selected-Control Synthesis of Metal Phosphonate Nanoparticles and Nanorods

  摘要：

  By surfactant-assisted methods, nanoscale Co(O3PC6H5)center dot H2O species of different morphologies, namely, nanoparticles and nanorods, have been successfully synthesized and characterized. Upon removal of the organic part of the compound, peculiar Co2P2O7 porous nanorods formed.

  DOI：

  10.1021/ic048436t
• 作为产物：
  描述：

  苯基膦酸二乙酯 在 三甲基溴硅烷 、 甲醇 、 sodium hydroxide 作用下， 以 乙腈 为溶剂， 以340 mg的产率得到sodium phenylphosphonate
  参考文献：
  名称：

  Inhibition of 1-Deoxy-d-Xylulose-5-Phosphate Reductoisomerase by Lipophilic Phosphonates: SAR, QSAR, and Crystallographic Studies

  摘要：

  1-Deoxy-D-xylulose-5-phosphate reductoisomerase (DXR) is a novel target for developing new antibacterial (including antituberculosis) and antimalaria drugs. Forty-one lipophilic phosphonates, representing a new class of DXR inhibitors, were synthesized, among which 5-phenylpyridin-2-ylmethylphosphonic acid possesses the most activity against E. coli DXR (EcDXR) with a K-i of 420 nM. Structure-activity relationships (SAR) are discussed, which can be rationalized using our EcDXR:inhibitor structures, and a predictive quantitative SAR (QSAR) model is also developed. Since inhibition studies of DXR from Mycobacterium tuberculosis (MtDXR) have not been performed well, 48 EcDXR inhibitors with a broad chemical diversity were found, however, to generally exhibit considerably reduced activity against MtDXR. The crystal structure of a, MtDXR:inhibitor complex reveals the flexible loop containing the residues 198-208 has no strong interactions with the 3,4-dichlorophenyl group of the inhibitor, representing a structural basis for the reduced activity. Overall, these results provide implications in the future design and development of potent DXR inhibitors.

  DOI：

  10.1021/jm200363d

文献信息

• 一种磷系阻燃剂及其制备方法与应用
  申请人：青岛博行新材料科技有限公司

  公开号：CN117603262A

  公开（公告）日：2024-02-27

  本发明公开一种磷系阻燃剂及其制备方法与应用，属于阻燃剂合成及应用领域。该磷系阻燃剂的制备方法包括以下步骤：(1)将烷基磷酸盐、烷基次磷酸盐中的至少一种溶解于水中，得到溶液一；将金属可溶性盐溶解于水中，得到溶液二；(2)将溶液二滴加到溶液一中，进行搅拌反应，得到反应液；(3)将反应液过滤或浓缩，然后烘干、粉碎，得到磷系阻燃剂。本发明所制得的磷系阻燃剂，具有阻燃效果好，热稳定性高，优异的抗析出性能等。本发明通过将烷基磷酸可溶性盐溶液、烷基次磷酸可溶性盐溶液与2～8价金属的非卤素可溶性盐溶液反应，并控制反应条件，得到新型的有机磷化物阻燃剂，制备方法具有工艺简单、环保、成本低、实用性强等优点。
• Cunningham, Desmond; Firtear, Padraig; Molloy, Kiaran C., Journal of the Chemical Society, Dalton Transactions, 1983, p. 1523 - 1528
  作者：Cunningham, Desmond、Firtear, Padraig、Molloy, Kiaran C.、Zuckerman, Jerald J.

  DOI：——

  日期：——
• Divalent metal phenylphosphonates and phenylarsonates
  作者：Desmond Cunningham、Patrick J.D. Hennelly、Tony Deeney

  DOI：10.1016/s0020-1693(00)95524-5

  日期：1979.1
• New cobalt- and sodium-containing heteronuclear phosphonate clusters: Synthesis, structure and properties
  作者：Nataliya P. Burkovskaya、Marina E. Nikiforova、Mikhail A. Kiskin、Zhanna V. Dobrokhotova、Artem S. Bogomyakov、Pavel S. Koroteev、Vasyl I. Pekhnyo、Aleksei A. Sidorov、Vladimir M. Novotortsev、Igor L. Eremenko

  DOI：10.1016/j.poly.2012.01.005

  日期：2012.3

  New polynuclear heteroligand complexes I(n-HPiv)2(P-2-Hmhp)4Na6Cos(116,112-03PPh)2(113:112-Piv)2 (mu(3)-Piv)(3)(mu-Piv)(7)]center dot 2C(10)H(22) (1-2C(10)H(22)) and 1(eta-H2O)(4)Na12Co12(mu s,eta(2)-O3PPh)(4)(mu 6-O3PPh)(4)(mu(3),eta(2)-mhp)(8) (mu(2)-Piv)(4)(mu(3)-Piv)(8)]center dot 1.25C(10)H(22) (2.1.25C(10)H(22)), where Hmhp is 6-methyl-2-pyridone, mhp is the 6-methyl-2-piridonate, and Piv is the pivalate anion, were obtained by the self-assembly of Co(Piv)(2)}(n), Na2O3PPh, and Hmhp in boiling decane (174 degrees C). The structures of compounds 1.2C(10)H(22) and 2.1.25C(10)H(22) were determined by single-crystal X-ray diffraction. The magnetic properties of these compounds and their thermal decomposition were investigated. The removal of coordinated water molecules from complex 2.1.25C(10)H(22) begins at 470 degrees C. (C) 2012 Elsevier Elsevier Ltd. All rights reserved.
• Oxomolybdenum(V) polyanion clusters. Hydrothermal syntheses and structures of (NH4)5Na4{Na[Mo6O12(OH)3(O3PC6H5)4)]2}·6H2O (C6H5CH2NMe3)4K4{K2[Mo6O12(OH)3(O3PC6H5)4]2}·10H2O and their relationship to the binuclear (Et4N)[Mo2O4Cl3(H2O)3]·5H2O
  作者：M.Ishaque Khan、Qin Chen、Jon Zubieta

  DOI：10.1016/0020-1693(95)90054-a

  日期：1995.7

  The hydrothermal syntheses of the binuclear Mo(V) species (Et(4)N)[Mo2O4Cl3(H2O)(3)]. 0.5H(2)O (3 . 0.5H(2)O) and of the hexanuclear (NH4)(5)Na-4Na[Mo6O 12(OH)(3)(O3PC6H5)(4)](2)}. 6H(2)O (1 . 6H(2)O) and (C(6)H(5)CH(2)NMe(3))(4)K-4K-2[Mo6O12(OH)(3)(O3PC6H5)(4)](2)}. 10H(2)O (2 . 10H(2)O) are described. X-ray crystallography revealed that both 1 . 6H(2)O and 2 . 10H(2)O contain the cyclic Mo(V) anion [Mo6O12(OH)(3)(O3PC6H5)(4)](5-) as the fundamental structural motif. This hexanuclear core may be considered as a trimer constructed from Mo(2)O10} units consisting of edge-sharing octahedra with alternating short-long Mo(V)-Mo(V) distances. The structure of 3 . 0.5H(2)O provides a structural prototype for this binuclear unit. Crystal data: 1 . 6H(2)O, C48H78N5O60Na5P8Mo12, monoclinic C2/c, a = 31.254(7), b = 30.441(6), c = 13.455(3) Angstrom, beta = 112.87(2)degrees, V = 11795(2) Angstrom(3), Z = 4, D-cacl = 1.80 g cm(-3), 2162 reflections, R = 0.069; 2 . 10H(2)O, C88H130N4O64P8K6Mo12, monoclinic P2/c, a = 19.203(4), b = 17.221(4), c = 20.949(5) Angstrom, beta = 98.91(3)degrees, V = 6844(1) Angstrom(3), Z = 2, D-calc = 1.86 g cm(-3), 4181 reflections, R = 0.065; 3 . 0.5H(2)O, C8H27NO75Cl3Mo2, monoclinic P2(1)/n, a = 7.923(2), b = 12.255(3), c = 20.511(3) Angstrom, beta = 100.83(2)degrees, V = 1956.2(6) Angstrom(3), Z = 4, D-calc = 1.89 g cm(-3), 2161 reflections, R = 0.060.