dimethyl N-methyliminodiacetate | 40418-38-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: dimethyl N-methyliminodiacetate
• 英文别名: methylazanediyl-bis-acetic acid dimethyl ester；methylimino-di-acetic acid dimethyl ester；Methylimino-di-essigsaeure-dimethylester；Methylamin-N.N-diessigsaeure-dimethylester；Methyldiglykolamidsaeuredimethylester；Methyl-bis-carbomethoxymethyl-amin；Methyl 2-[(2-methoxy-2-oxoethyl)(methyl)amino]acetate；methyl 2-[(2-methoxy-2-oxoethyl)-methylamino]acetate
• CAS: 40418-38-0
• 化学式: C₇H₁₃NO₄
• mdl: MFCD16153056
• 分子量: 175.185
• InChiKey: RTKQGHBTUHGYNR-UHFFFAOYSA-N

物化性质

• 沸点：
  114.5-115.5 °C(Press: 13 Torr)
• 密度：
  1.106±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.714
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  dimethyl N-methyliminodiacetate 在 乙醚 、 硝基甲烷 作用下， 生成 bis-(2-hydroxy-2,2-diphenyl-ethyl)-dimethyl-ammonium; iodide
  参考文献：
  名称：

  Wittig; Rieber, Justus Liebigs Annalen der Chemie, 1949, vol. 562, p. 187,190, 192

  摘要：

  DOI：
• 作为产物：
  描述：

  甲醇 、 亚氨基二乙酸 在 氯化亚砜 作用下， 反应 7.5h， 以75%的产率得到dimethyl N-methyliminodiacetate
  参考文献：
  名称：

  新型苯并二氧嘧啶融合的聚（N-甲基吡咯）衍生物的合成与电化学表征：联合实验和DFT研究

  摘要：

  在这项研究中，我们从实验研究中获得的发现被介绍为一种新型的可电聚合单体2-甲基-5,10-二氢-2 H-苯并[6,7] [1,4]二氧代辛基[2,3- c ]吡咯（XyPMe），涉及N-甲基-3,4-二羟基吡咯-2,5-二羧酸二乙酯与1,2-双（溴甲基）苯的环化反应以及伴随的水解和脱羧反应。该合成途径中的关键步骤是利用TGA分析确定最佳的脱羧温度，该温度会原位降低聚合副产物的形成明显。制备目标单体后，然后进行电聚合反应，并详细研究光电性能。为了更好地阐明N-烷基化和杂环体系对聚合物主链的影响，我们已经包括并在理论上研究了我们实验室中已经合成的在吡咯环上具有丁基的两种单体的电子性质（XyPBu）以及其结构（XyT）上的噻吩骨架及其相应的低聚物（n = 2至11，n表示连续的单元号）。结合实验和理论研究，为建立具有可预测的电子和结构性质的高级共轭体系提供了一条途径。

  DOI：

  10.1039/d0nj03992f

文献信息

• [EN] APPARATUS AND METHODS FOR THE AUTOMATED SYNTHESIS OF SMALL MOLECULES<br/>[FR] APPAREIL ET PROCÉDÉS POUR LA SYNTHÈSE AUTOMATISÉE DE PETITES MOLÉCULES
  申请人：UNIV ILLINOIS

  公开号：WO2012012756A1

  公开（公告）日：2012-01-26

  Provided are methods for purifying N-methyliminodiacetic acid (MID A) boronates from solution. Also provided are methods for deprotection of boronic acids from their MIDA ligands. The purification and deprotection methods can be used in conjunction with methods for coupling or otherwise reacting boronic acids. Iterative cycles of deprotection, coupling, and purification can be performed to synthesize chemical compounds of interest. The methods are suitable for use in an automated chemical synthesis process. Also provided is an automated small molecule synthesizer apparatus for performing automated synthesis of small molecules using iterative cycles of deprotection, coupling, and purification in accordance with methods of the invention. Coupling and other reactions embraced by the invention include, without limitation, Suzuki-Miyaura coupling, oxidation, Swern oxidation, "Jones reagents" oxidation, reduction, Evans' aldol reaction, HWE olefmation, Takai olefmation, alcohol silylation, desilylation, /?-methoxybenzylation, iodination, Negishi cross-coupling, Heck coupling, Miyaura borylation, Stille coupling, and Sonogashira coupling.

  提供了从溶液中纯化N-甲基亚胺二乙酸（MID A）硼酸酯的方法。还提供了一种从其MIDA配体中去保护硼酸的方法。这些纯化和去保护方法可以与硼酸的偶联或其他反应方法结合使用。可以进行去保护、偶联和纯化的迭代循环，以合成感兴趣的化合物。这些方法适用于自动化化学合成过程。还提供了一种用于根据本发明方法执行去保护、偶联和纯化迭代循环的自动化小分子合成器装置。本发明涵盖的偶联和其他反应包括但不限于Suzuki-Miyaura偶联、氧化、Swern氧化、"Jones试剂"氧化、还原、Evans的Aldol反应、HWE烯烃化、Takai烯烃化、醇硅基化、去硅基化、/β-甲氧基苄化、碘化、Negishi交叉偶联、Heck偶联、Miyaura硼化、Stille偶联和Sonogashira偶联。
• Extending the Family of N‐Heterocyclic Heavy Carbene Analogues: Synthesis and Crystal and Molecular Structures of MeN[CH ₂ C(O)N(R)] ₂ Sn (R = Me ₂ NCH ₂ CH ₂ , PhCH ₂ , Me ₃ CCH ₂ )
  作者：Ljuba Iovkova‐Berends、Miriam Seiger、Thomas Westfeld、Alexander Hoffmann、Sonja Herres‐Pawlis、Klaus Jurkschat

  DOI：10.1002/ejic.201300535

  日期：2013.12.2

  We report herein the synthesis of the N-methyl-N′N″-diorganoiminodiacetic acid diamides MeN[CH2C(O)N(R)H]2 [3: R = Me2N(CH2)2; 4: R = PhCH2; 5: R = Me3CCH2] and the novel tin(II) derivatives MeN[CH2C(O)N(R)]2Sn [6: R = Me2N(CH2)2; 7: R = PhCH2; 8: R = Me3CCH2]. The compounds were characterized by elemental analyses, 1H NMR spectroscopy (3–5), solid-state 13C and 119Sn NMR spectroscopy (8), and single-crystal

  我们在此报告的合成Ñ甲基Ñ ' N“ -diorganoiminodiacetic二酰胺的MeN [CH 2 C（O）N（R）H] 2 [ 3：R =我2 N（CH 2）2 ; 4：R = PhCH 2 ; 5：R ＝ Me 3 CCH 2 ]和新型锡（II）衍生物MeN [CH 2 C（O）N（R）] 2 Sn [ 6：R ＝ Me 2 N（CH 2）2；R ＝ Me 3 CCH 2。7：R = PhCH 2 ; 8：R ＝ Me 3 CCH 2 ]。通过元素分析的化合物进行了表征，1个H NMR光谱（3 - 5），固态13 C和119 Sn的NMR光谱法（8），和单晶X射线衍射分析（5，8）。化合物8显示的分子内NSn和分子间OSn相互作用的距离分别为2.370（2）和2.406（2）Å，后者表明8是配位聚合物。DFT计算显示共价的Sn–NC（O）以及配位的NSn和C = OSn键。考
• CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS
  申请人：Lam Patrick Y.S.

  公开号：US20140163002A1

  公开（公告）日：2014-06-12

  The present invention provides compounds of Formula (Ia): or stereoisomers, tautomers, or pharmaceutically acceptable salts thereof, wherein all the variables are as defined herein. These compounds are selective factor XIa inhibitors or dual inhibitors of FXIa and plasma kallikrein. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating thromboembolic and/or inflammatory disorders using the same.

  本发明提供了式(Ia)的化合物：或其立体异构体、互变异构体或药学上可接受的盐，其中所有变量如本文所定义。这些化合物是选择性因子XIa抑制剂或FXIa和血浆卡利肯双重抑制剂。本发明还涉及包含这些化合物的制药组合物以及使用它们治疗血栓栓塞性和/或炎症性疾病的方法。
• LITHOGRAPHIC PRINTING PLATE PRECURSORS AND PROCESSES FOR PREPARING LITHOGRAPHIC PRINTING PLATES
  申请人：FUJIFILM Corporation

  公开号：US20150044612A1

  公开（公告）日：2015-02-12

  Lithographic printing plates and processes for preparing the lithographic printing plates are provided. The plates have excellent printing durability, staining resistance and staining resistance over time. The lithographic printing plate precursor includes: a substrate; a photosensitive layer provided on the substrate; and an extra layer optionally provided between the substrate and the photosensitive layer. The photosensitive layer or the extra layer adjacent to the substrate contains (A) a copolymer. The copolymer (A) includes: (a1) a repeating unit of formula (a1-1) below in a side chain, and (a2) a repeating unit having at least one of the structures represented by formulae (a2-1) to (a2-6) shown in the specification in a side chain. L 1 , Z 1 , R 1 , and R 21 , R 22 and R 23 in formula (a1-1) and the variables in formulae (a2-1) to (a2-6) are as defined in the specification.

  提供了用于制备平版印刷版和制备平版印刷版的过程。该版具有良好的印刷耐久性、耐污染性和随时间的污染性。平版印刷版的前体包括：基板；设置在基板上的感光层；以及可选地设置在基板和感光层之间的额外层。感光层或靠近基板的额外层包含(A)共聚物。共聚物(A)包括：(a1)公式(a1-1)的重复单元在侧链中，以及(a2)重复单元在侧链中至少具有公式(a2-1)到(a2-6)所表示的结构中的一个。公式(a1-1)中的L1、Z1、R1和R21、R22和R23以及公式(a2-1)到(a2-6)中的变量如规范中所定义。
• Oil-dispersed yellow filter dyes
  申请人：FUJI PHOTO FILM CO., LTD.

  公开号：EP0519306A1

  公开（公告）日：1992-12-23

  There is disclosed a silver halide photographic light-sensitive material containing a dye which colors a specific layer in the light-sensitive material and furthermore is quickly decolored and/or eluted during a development processing. The light-sensitive material contains at least one compound represented by the following formula (1): wherein R¹¹ represents a hydrogen atom, an alkyl group, preferably an aryl group, -COOR¹⁶, or -CONR¹⁶R¹⁷; R¹², R¹³ and R¹⁴ each represents a hydrogen atom, an alkyl group, and an aryl group; R¹⁵ represents a hydrogen atom, an alkyl group, an aryl group, or an amino group; R¹³ and R¹⁴ may preferably be combined to form a 6-membered ring; and R¹⁶ and R¹⁷ each represents a hydrogen atom, an alkyl group, and an aryl group; provided that the compound represented by formula (1) does not have a carboxy group or a salt thereof as a substituent.

  本发明公开了一种含有染料的卤化银感光材料，该染料能使感光材料中的特定层着色，并能在显影过程中迅速脱色和/或洗脱。该感光材料至少含有一种由下式（1）表示的化合物： 其中 R¹¹ 代表氢原子、烷基，最好是芳基、-COOR¹⁶ 或-CONR¹⁶R¹⁷；R¹²、R¹³ 和 R¹⁴ 各自代表氢原子、烷基和芳基；R¹⁵ 代表氢原子、烷基、芳基或氨基；R¹³和R¹⁴最好结合形成一个 6 元环；以及 R¹⁶ 和 R¹⁷ 各自代表一个氢原子、一个烷基和一个芳基。