diethyl 2-carboethoxy-2,3,4-trimethylglutarate | 85373-82-6

• 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: diethyl 2-carboethoxy-2,3,4-trimethylglutarate
• 英文别名: 3-methyl-pentane-2,2,4-tricarboxylic acid triethyl ester；3-Methyl-pentan-2,2,4-tricarbonsaeure-triaethylester
• CAS: 85373-82-6
• 化学式: C₁₅H₂₆O₆
• 分子量: 302.368
• InChiKey: ODUKZPQRVYWBSC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.95
• 重原子数：
  21.0
• 可旋转键数：
  8.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  78.9
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  diethyl 2-carboethoxy-2,3,4-trimethylglutarate 在 氢氧化钾 、 lithium aluminium tetrahydride 作用下， 以 乙醚 、 乙醇 为溶剂， 生成 2,3,4-trimethyl-1,5-pentanediol
  参考文献：
  名称：

  Carbon-13 NMR spectra of saturated heterocycles: XI—Tetrahydropyrans (oxanes)

  摘要：

  AbstractThe 13C NMR spectra of 62 oxanes (tetrahydropyrans) with and without methyl substituents at various ring positions, some of them bearing in addition (or instead) ethyl, vinyl, ethynyl, carbomethoxy and methylol substituents at C‐2, have been recorded, and the 294 resulting chemical shifts have been correlated by multiple linear regression analysis. Axial and equatorial α‐, β‐, γ‐, δ‐, gem‐ and vic‐parameters for shifts caused by methyl groups at all ring positions, and similar parameters for Et,—CHCH2,—CCH, CO2Me and CH2OH groups at C‐2, are reported. Standard deviations of the parameters are, in most cases, within 0.3 ppm and the agreement of calculated and experimental shifts is excellent. This is probably the largest parameter set of this type extant. 13C NMR spectra of a number of additional substituted tetrahydropyrans, and of 3,6‐dihydro‐2H‐pyrans and 3,4‐dihydro‐2H‐pyrans, are tabulated and discussed.

  DOI：

  10.1002/omr.1270210205
• 作为产物：
  描述：

  惕各酸乙酯 、 甲基丙二酸二乙酯 在 sodium 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以63%的产率得到diethyl 2-carboethoxy-2,3,4-trimethylglutarate
  参考文献：
  名称：

  Carbon-13 NMR spectra of saturated heterocycles: XI—Tetrahydropyrans (oxanes)

  摘要：

  AbstractThe 13C NMR spectra of 62 oxanes (tetrahydropyrans) with and without methyl substituents at various ring positions, some of them bearing in addition (or instead) ethyl, vinyl, ethynyl, carbomethoxy and methylol substituents at C‐2, have been recorded, and the 294 resulting chemical shifts have been correlated by multiple linear regression analysis. Axial and equatorial α‐, β‐, γ‐, δ‐, gem‐ and vic‐parameters for shifts caused by methyl groups at all ring positions, and similar parameters for Et,—CHCH2,—CCH, CO2Me and CH2OH groups at C‐2, are reported. Standard deviations of the parameters are, in most cases, within 0.3 ppm and the agreement of calculated and experimental shifts is excellent. This is probably the largest parameter set of this type extant. 13C NMR spectra of a number of additional substituted tetrahydropyrans, and of 3,6‐dihydro‐2H‐pyrans and 3,4‐dihydro‐2H‐pyrans, are tabulated and discussed.

  DOI：

  10.1002/omr.1270210205

文献信息

• Sustainable control of iodine deficiency in Iran: Beneficial results of the implementation of the mandatory law on salt iodization
  作者：F. Azizi、R. Sheikholeslam、M. Hedayati、P. Mirmiran、H. Malekafzali、M. Kimiagar、M. Pajouhi

  DOI：10.1007/bf03344029

  日期：2002.5

  Iodine deficiency disorders (IDD) were prevalent in the Islamic Republic (IR) of IRAN before 1989, when the national salt iodization program with 40 mg l/k of salt was initiated. Despite a comprehensive IDD control program, less than 50% of the households in rural areas consumed iodized salt by 1994. A law for the mandatory production of iodized salt for households was passed in 1994. The purpose of this study was to evaluate goiter status and urinary iodine excretion 2 yr after this law was implemented. In each of 26 provinces, 30 groups of 40 schoolchildren, total 36,178, were examined for goiter and classified according to World Health Organization (WHO) classification. Urinary iodine excretion was measured in 2,917 children by digestion method. Goiter was endemic in all provinces, but the majority were small (grade 1) goiter. Median urinary iodine was 20.5 mug/dl 85.1% had urinary iodine greater than or equal to10 mug/dl. Median urinary iodine was above 13 mug/dl in all 26 provinces. In all provinces the percentage of schoolchildren with urinary iodine <5 μg/dl was less than 16%. In nine provinces the median urinary iodine was between 13 to 20 gμ/dl; urinary iodine of their schoolchildren was <5 mug/dl in 10.8% and <2 μg/dl in 6-9%. No significant difference was observed between boys and girls or children of rural and urban regions in urinary iodine excretion. We conclude that 7 yr after the beginning of salt iodization and 2 yr following mandatory iodized salt consumption, urinary iodine excretion is adequate in schoolchildren; considering the data of the percent of households consuming iodized salt and programmatic setting of the IDD program, The IR of Iran has reached a sustainable control program for iodine deficiency.
• Michael; Ross, Journal of the American Chemical Society, 1930, vol. 52, p. 4607
  作者：Michael、Ross

  DOI：——

  日期：——
• Michael, Chemische Berichte, 1900, vol. 33, p. 3756
  作者：Michael

  DOI：——

  日期：——
• Ray, Journal of the American Chemical Society, 1928, vol. 50, p. 561
  作者：Ray

  DOI：——

  日期：——