methyl 2-[3-(2-methoxy-2-oxoethoxy)-2-[(2-methoxy-2-oxoethoxy)methyl]-2-methylpropoxy]acetate | 78134-66-4

• 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: methyl 2-[3-(2-methoxy-2-oxoethoxy)-2-[(2-methoxy-2-oxoethoxy)methyl]-2-methylpropoxy]acetate
• CAS: 78134-66-4
• 化学式: C₁₄H₂₄O₉
• 分子量: 336.339
• InChiKey: KFLYHSQJDAYILG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.44
• 重原子数：
  23.0
• 可旋转键数：
  12.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  106.59
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  methyl 2-[3-(2-methoxy-2-oxoethoxy)-2-[(2-methoxy-2-oxoethoxy)methyl]-2-methylpropoxy]acetate 在 lithium aluminium tetrahydride 、 氯化亚砜 作用下， 以 四氢呋喃 、 吡啶 、 氯仿 为溶剂， 反应 48.0h， 生成 1,3-bis(2-chloroethoxy)-2-(2-chloroethoxymethyl)-2-methylpropane
  参考文献：
  名称：

  Molecular Design of C-Pivot Tripodal Ligands:  Importance of the Glycerol Structure for Effective Complexation toward Alkali Metal Cations

  摘要：

  A new series of C-pivot tripodal ligands 1-4 containing a 2-methylglycerol unit were prepared and their complexation properties toward alkali metal cations were examined by measuring the extractability, stability constant in THF, characteristic absorption in the UV spectrum, change in the chemical shia in the H-1 NMR, and competitive passive transport. This type of compound (1-4) was found to possess excellent complexing ability and higher selectivity than another type of tripodal Ligand 5 derived from tris(hydroxymethyl)ethane. This remarkable difference in the stability constants was reasonably explained by considering that the former takes a three-dimensional coordination toward alkali metal cations by cooperatively using the three electron-donating arms but the latter does not. This finding clearly shows that a proper selection of the structure of the basic skeleton is important for the molecular design of C-pivot tripodal ligands.

  DOI：

  10.1021/jo971078+
• 作为产物：
  描述：

  1,1,1-三(羟甲基)乙烷 在 potassium tert-butylate 、 氢气 作用下， 以 叔丁醇 为溶剂， 生成 methyl 2-[3-(2-methoxy-2-oxoethoxy)-2-[(2-methoxy-2-oxoethoxy)methyl]-2-methylpropoxy]acetate
  参考文献：
  名称：

  Molecular Design of C-Pivot Tripodal Ligands:  Importance of the Glycerol Structure for Effective Complexation toward Alkali Metal Cations

  摘要：

  A new series of C-pivot tripodal ligands 1-4 containing a 2-methylglycerol unit were prepared and their complexation properties toward alkali metal cations were examined by measuring the extractability, stability constant in THF, characteristic absorption in the UV spectrum, change in the chemical shia in the H-1 NMR, and competitive passive transport. This type of compound (1-4) was found to possess excellent complexing ability and higher selectivity than another type of tripodal Ligand 5 derived from tris(hydroxymethyl)ethane. This remarkable difference in the stability constants was reasonably explained by considering that the former takes a three-dimensional coordination toward alkali metal cations by cooperatively using the three electron-donating arms but the latter does not. This finding clearly shows that a proper selection of the structure of the basic skeleton is important for the molecular design of C-pivot tripodal ligands.

  DOI：

  10.1021/jo971078+

文献信息

• Preparation of polyether polycarboxylic acids containing quaternary carbon atoms in the backbone
  作者：Robert McCrindle、Alan J. McAlees

  DOI：10.1039/p19810000741

  日期：——

  The addition of chloromethyl ethers (4a–c), (10a), and (11a) to 1-methoxy-2-methylprop-1-ene (5) is catalysed by mercury(II) chloride. Hydrolysis of the resulting chloro-ethers [e.g. (6a)] gives 3-alkoxy-2,2-dialkylpropanals [e.g. (7a)] which can be oxidised to the corresponding carboxylic acids [e.g. (8a)] with hydrogen peroxide in the presence of selenium dioxide as catalyst. Poly(alkoxyacetic) acids

  氯化汞（II）催化将氯甲基醚（4a-c），（10a）和（11a）加到1-甲氧基-2-甲基丙-1-烯（5 ）中。所得氯醚的水解[例如。（6a）]得到3-烷氧基-2,2-二烷基丙醛[例如。（7a）]可以被氧化成相应的羧酸[例如。（8a）]在二氧化硒存在下用过氧化氢作为催化剂。聚（alkoxyacetic）氨基酸已经被通过与醇盐反应得到NN -dialkylchloroacetamides接着水解。因此，酸（12a–c）分别从2,2-二甲基丙烷-1,3-二醇，2-羟甲基-2-甲基丙烷-1,3-二醇和季戊四醇获得。
• MCGRINDLE R.; MCALEES A. J., J. CHEM. SOC. PERKIN TRANS., 1981, PART 1, NO 3, 741-745
  作者：MCGRINDLE R.、 MCALEES A. J.

  DOI：——

  日期：——