4-morpholinomethylphosphonic acid | 4730-75-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 4-morpholinomethylphosphonic acid
• 英文别名: N-morpholinomethylphosphonic acid；N-morpholynomethylphosphonic acid；morpholinomethylphosphonic acid；N-(phosphonomethyl)morpholine；morpholin-4-ylmethyl-phosphonic acid；4-morpholinylmethylphosphonic acid；morpholin-4-ylmethylphosphonic acid
• CAS: 4730-75-0
• 化学式: C₅H₁₂NO₄P
• mdl: MFCD01332228
• 分子量: 181.128
• InChiKey: TUGMVGKTLNQWJN-UHFFFAOYSA-N

物化性质

• 沸点：
  364.4±52.0 °C(Predicted)
• 密度：
  1.406±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -4.1
• 重原子数：
  11
• 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：
  70
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-morpholinomethylphosphonic acid 生成 氨甲基膦酸
  参考文献：
  名称：

  摘要：

  DOI：
• 作为产物：
  描述：

  吗啉-4-基乙酸 在 phosphorus(III) oxide 作用下， 以 三氟甲磺酸 为溶剂， 反应 7.0h， 以94.7%的产率得到4-morpholinomethylphosphonic acid
  参考文献：
  名称：

  [EN] METHOD FOR THE SYNTHESIS OF ALPHA-AMINOALKYLENEPHOSPHONIC ACID
  [FR] PROCÉDÉ DE SYNTHÈSE D'ACIDE ALPHA-AMINOALKYLÈNEPHOSPHONIQUE

  摘要：

  本发明涉及一种合成α-氨基烯基膦酸或其膦酸酯的新方法，包括以下步骤：通过混合含有一个P原子在氧化态（+111）和另一个P原子在氧化态（+111）或（+V）的P-O-P酸酐基团的化合物、氨基烷基羧酸和酸催化剂来形成反应混合物，其中所述反应混合物中α-氨基烯基羧酸与P-O-P酸酐基团的当量比至少为0.2，并从反应混合物中回收所得的α-氨基烯基膦酸化合物或其酯。

  公开号：

  WO2014012990A1

文献信息

• Oxidative ring cleavage process
  申请人：Monsanto Company

  公开号：US04587061A1

  公开（公告）日：1986-05-06

  The novel reaction of 4-morpholinylmethylphosphonic acid with an aqueous alkali yields the trialkali metal salt of N-phosphonomethylglycine.

  4-吗啡啶甲基膦酸与水溶性碱反应的新反应产物是N-磷酰甲基甘氨酸的三元碱金属盐。
• Synthesis of (pyrrolidin-1-yl- and morpholinoalkyl)phosphonic acids
  作者：A. E. Baltser、I. V. Shukan、E. N. Barskova

  DOI：10.1134/s107042800908034x

  日期：2009.8
• Synthesis of the novel layered amorphous and crystalline zirconium phosphate–phosphonates Zr(HPO4)[O3PCH2N(CH2CH2)2O]·nH2O, Zr(HPO4)[O3PCH2N(CH2CO2H)2]·nH2O, zirconium phosphonates Zr[(O3PCH2)NCH2CO2H]·nH2O and the catalytic activities of their palladium complexes in hydrogenation
  作者：Ma Xuebing、Fu Xiangkai

  DOI：10.1016/j.molcata.2003.07.004

  日期：2004.2

  The layered amorphous and crystalline samples of zirconium [N-(phosphonomethyl)morpholine-phosphate] Zr(HPO4)[O3PCH2N(CH2CH2)(2)O].nH(2)O (1a, 2a), zirconium [N-(phosphonomethyl)iminodiacetic acid-phosphate] Zr(HPO4)[O3PCH2N(CH2CO2H)(2)].nH(2)O (1b, 2b) and zirconium [N,N-di(phosphonomethyl) acetic acid] Zr[(O3PCH2)(2)NCH2CO2H].nH(2)O (1c, 2c) were synthesized for the first time with zirconium oxychloride, sodium dihydrogen phosphate and H2O3PCH2N(CH2CH2)(2)O, H2O3PCH2N(CH2CO2H)(2) or (H2O3PCH2)(2)NCH2CO2H in the absence and presence of hydrofluoric acid. The samples were comparatively characterized by XRD, IR, TG and elemental analysis. XRD data showed that the crystalline samples 2a, 2b and 2c are highly crystalline with interlayer spacings of 1.606, 1.538 and 1.239 nm, respectively. The amorphous and crystalline samples lost nearly the weight calculated for their organic component over the same broad temperature range of 172-664, 184-680 and 176-668 degreesC, respectively. XPS data indicated that the coordination bonds formed between nitrogen and palladium in the palladium complexes. Their palladium complexes possessed good activities for the hydrogenation of the carbon-carbon double bond. The catalytic activities of the palladium complexes of amorphous 1a, 1b and 1c is 1.5-3.1 times as high as that of the palladium complexes of crystalline 2a, 2b and 2c. (C) 2003 Elsevier B.V. All rights reserved.
• Synthesis, characterized, QSAR studies and molecular docking of some phosphonates as COVID-19 inhibitors
  作者：Khodayar Gholivand、Azam Barzegari、Fahimeh Mohammadpanah、Rouhollah Yaghoubi、Roohollah Roohzadeh、Ali Asghar Ebrahimi Valmoozi

  DOI：10.1016/j.poly.2022.115824

  日期：2022.7
• Lowe, Mark P.; Lockhart, Joyce C.; Matthews, Craig J., Journal of the Chemical Society. Perkin transactions II, 1994, # 9, p. 1957 - 1964
  作者：Lowe, Mark P.、Lockhart, Joyce C.、Matthews, Craig J.、Clegg, William、Elsegood, Mark R. J.、Horsburgh, Lynne

  DOI：——

  日期：——