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methylenebisphosphonic acid P,P'-di[3-(trimethylsilyl)propyl] diester | 282541-11-1

中文名称
——
中文别名
——
英文名称
methylenebisphosphonic acid P,P'-di[3-(trimethylsilyl)propyl] diester
英文别名
P,P'-di(3-(trimethylsilyl)propyl) methylenebisphosphonic acid;P,P'-di[3-(trimethylsilyl)-1-propyl]methylenediphosphonicacid;di-[3-(trimethylsilyl)-1-propylene]methylenediphosphonic acid;methylenebis(3-(trimethylsilyl)propyl hydrogen phosphonate);Bis[3-(trimethylsilyl)propyl] methylenebisphosphonate;[hydroxy(3-trimethylsilylpropoxy)phosphoryl]methyl-(3-trimethylsilylpropoxy)phosphinic acid
methylenebisphosphonic acid P,P'-di[3-(trimethylsilyl)propyl] diester化学式
CAS
282541-11-1
化学式
C13H34O6P2Si2
mdl
——
分子量
404.528
InChiKey
NVYFENZYHYYFQJ-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    4.8
  • 重原子数:
    23
  • 可旋转键数:
    12
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    1.0
  • 拓扑面积:
    93.1
  • 氢给体数:
    2
  • 氢受体数:
    6

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    europium(III) nitrate hexahydrate 、 methylenebisphosphonic acid P,P'-di[3-(trimethylsilyl)propyl] diester 在 HNO3 作用下, 以 甲醇 为溶剂, 以93%的产率得到Eu2(P,P'-di[3-(trimethylsilyl)-1-propyl]methylenediphosphonate)3
    参考文献:
    名称:
    SYNTHESIS AND CHARACTERIZATION OF METAL COMPLEXES OF P,P′-DI[3-(TRIMETHYLSILYL)-1-PROPYL] METHYLENEDIPHOSPHONIC ACID
    摘要:
    The silicon-substituted diphosphonic acid P,P'-di[3-(trimethylsilyl)-1-propyl] methylenediphosphonic acid, H2DTMSP[MDP], reacts with metal nitrates in methanol to form complexes M-2(DTMSP[MDP])(3) for M = Fe, Eu and Yb and M(DTMSP[MDP])(2) for M = Th. The sodium salt, Na-2(DTMSP[MDP]), forms upon neutralization of H2DTMSP[MDP] with NaOH, The calcium salt, Ca(DTMSP[MDP]), forms upon addition of the aqueous metal nitrate to an equivalent amount of the neutralized ligand in methanol. Elemental analysis, infrared spectroscopy and magnetic susceptibility measurements were used to characterize the compounds. Frequency shifts in the asymmetric and symmetric POO- stretching bands of the Fe, Eu, Yb and Th compounds indicate symmetrical coordination of the phosphonate groups through chelate and/or bridging interactions. The frequency difference between these stretching bands becomes smaller as the ionic potential (e/r) of the metal ion increases.
    DOI:
    10.1081/sim-120003208
  • 作为产物:
    描述:
    methylenebis(3-(trimethylsilyl)propyl methyl phosphonate)三甲基溴硅烷 作用下, 以 二氯甲烷 为溶剂, 反应 0.5h, 以95%的产率得到methylenebisphosphonic acid P,P'-di[3-(trimethylsilyl)propyl] diester
    参考文献:
    名称:
    Facile high yielding synthesis of symmetric esters of methylenebisphosphonic acid
    摘要:
    The 1H-tetrazole catalyzed coupling of methylenebis(phosphonic dichloride), CH2(POCl2)(2), with primary alkyl, cyclic secondary alkyl, aromatic, and silicon- and fluorine-containing alcohols selectively affords symmetric P,P'-dialkyl partial esters as wen as homoleptic and mixed tetraesters. Two partial ester intermediates, methylenebis(2-ethylhexyl phosphonic chloride) and 2-ethylhexyl methylenebisphosphonic trichloride, were observed by H-1- and P-31 NMR spectroscopy in the esterification of CH2(POCl2)(2) with 2-ethyl-1-hexanol. (C) 2001 Elsevier Science Ltd. All rights reserved.
    DOI:
    10.1016/s0040-4020(01)00846-8
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文献信息

  • Synthesis and Characterization of Di-[3-(Trimethylsilyl)-1-Propylene] Alkylenediphosphonic Acids
    作者:Julie A. Griffith-dzielawa、Richard E. Barrans、Daniel R. Mcalister、Mark L. Dietz、Albert W. Herlinger
    DOI:10.1080/00397910008087391
    日期:2000.1
    acids was successfully esterified with 3-(trimethylsilyl)-1-propanol to the symmetrically-substituted diesters. The procedure, which has general applicability for incorporating silicon heteroatoms into diphosphonic acids, utilizes the esterification reagent dicyclohexyl-carbodiimide (DCC) to activate the acid. The aggregation properties of the di-[3-(trimethylsilyl)-1-propylene] alkylenediphosphonic acids
    摘要 一个同源系列的亚烷基二膦酸与 3-(三甲基甲硅烷基)-1-丙醇成功酯化成对称取代的二酯。该方法具有将杂原子结合到二膦酸中的普遍适用性,利用酯化试剂二环己基碳二亚胺 (DCC) 来激活酸。在甲苯和1-癸醇中测量二-[3-(三甲基甲硅烷基)-1-丙烯]亚烷基二膦酸的聚集特性。
  • A FACILE AND SELECTIVE HIGH YIELD SYNTHESIS OF SYMMETRIC DIALKYL-SUBSTITUTED METHYLENEBISPHOSPHONIC ACIDS
    作者:Dominique C. Stepinski、Albert W. Herlinger
    DOI:10.1081/scc-120006033
    日期:2002.1
    ABSTRACT Symmetric P,P′-dialkyl partial esters of methylenebisphosphonic acid were prepared in high yield and high selectivity from the corresponding acid chloride via a facile two-step, one-pot process. The newly developed synthesis, which does not require chromatographic or acid–base extractive purification, offers substantial advantages over previously used procedures.
    摘要 通过简便的两步一锅法从相应的酰以高收率和高选择性制备亚甲基双膦酸的对称 P,P'-二烷基偏酯。新开发的合成不需要色谱或酸碱萃取纯化,与以前使用的程序相比具有很大的优势。
  • Synthesis of Symmetrical Methylenebis(Alkyl Hydrogen Phosphonates) by Selective Cleavage of Methylenebis(Dialkyl Phosphonates) with Morpholine
    作者:Gantla Vidyasagar Reddy、Hollie K. Jacobs、Aravamudan S. Gopalan、Richard E. Barrans、Mark L. Dietz、Dominique C. Stepinski、Albert W. Herlinger
    DOI:10.1081/scc-120027271
    日期:2004.1
    c acids has been of recent interest due to their potential therapeutic applications. This paper describes a convenient method to prepare symmetrical methylenebis(alkyl hydrogen phosphonates) by the selective cleavage of the corresponding methylenebis(dialkyl phosphonate) with refluxing morpholine. The effects of structural variations on the amine as well as the substrate have been investigated to understand
    摘要 由于其潜在的治疗应用,亚甲基双膦酸偏酯的制备最近引起了人们的兴趣。本文描述了一种通过用回流的吗啉选择性裂解相应的亚甲基双(二烷基膦酸)来制备对称亚甲基双(烷基氢膦酸)的简便方法。已经研究了结构变化对胺和底物的影响,以了解该反应的范围和局限性。受阻双膦酸酯的一种更好的方法是使用吗啉裂解它们的二甲酯 4。该方法也可用于获取许多 C-烷基二烷基亚甲基双膦酸,例如 6。该研究清楚地表明,用吗啉裂解方便、便宜、
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同类化合物

(1-氨基丁基)磷酸 顺丙烯基磷酸 除草剂BUMINAFOS 阿仑膦酸 阻燃剂 FRC-1 铵甲基膦酸盐 钠甲基乙酰基膦酸酯 钆1,5,9-三氮杂环十二烷-N,N',N''-三(亚甲基膦酸) 钆-1,4,7-三氮杂环壬烷-N,N',N''-三(亚甲基膦酸) 重氮甲基膦酸二乙酯 辛基膦酸二丁酯 辛基膦酸 辛基-膦酸二钾盐 辛-1-烯-2-基膦酸 试剂12-Azidododecylphosphonicacid 英卡膦酸 苯胺,4-乙烯基-2-(1-甲基乙基)- 苯甲基膦酸二甲酯 苯基膦酸二甲酯 苯基膦酸二仲丁酯 苯基膦酸二乙酯 苯基膦酸二乙酯 苯基磷酸二辛酯 苯基二异辛基亚磷酸酯 苯基(1H-1,2,4-三唑-1-基)甲基膦酸二乙酯 Tetrapotassium (((2-hydroxyethyl)imino)bis(methylene))bisphosphonate 苄基膦酸苄基乙酯 苄基亚甲基二膦酸 膦酸,[(2-乙基己基)亚氨基二(亚甲基)]二,triammonium盐(9CI) 膦酸叔丁酯乙酯 膦酸单十八烷基酯钾盐 膦酸二辛酯 膦酸二(二十一烷基)酯 膦酸,辛基-,单乙基酯 膦酸,甲基-,单(2-乙基己基)酯 膦酸,甲基-,二(苯基甲基)酯 膦酸,甲基-,2-甲氧基乙基1-甲基乙基酯 膦酸,丁基乙基酯 膦酸,[苯基[(苯基甲基)氨基]甲基]-,二甲基酯 膦酸,[[羟基(苯基甲基)氨基]苯基甲基]-,二(苯基甲基)酯 膦酸,[2-(环丙基氨基)-2-羰基乙基]-,二乙基酯 膦酸,[2-(二甲基亚肼基)丙基]-,二乙基酯,(E)- 膦酸,[1-甲基-2-(苯亚氨基)乙烯基]-,二乙基酯 膦酸,[1-(乙酰基氨基)-1-甲基乙基]-(9CI) 膦酸,[(环己基氨基)苯基甲基]-,二乙基酯 膦酸,[(二乙氧基硫膦基)(二甲氨基)甲基]- 膦酸,[(2S)-2-氨基-2-苯基乙基]-,二乙基酯 膦酸,[(1Z)-2-氨基-2-(2-噻嗯基)乙烯基]-,二乙基酯 膦酸,P-[(二乙胺基)羰基]-,二乙基酯 膦酸,(氨基二环丙基甲基)-