dienestrol dimethyl ether | 70244-13-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: dienestrol dimethyl ether
• 英文别名: 4,4'-((2E,4E)-hexa-2,4-diene-3,4-diyl)bis(methoxybenzene)；Dienestrol-dimethylaether；3.4-bis-(4-methoxy-phenyl)-hexadiene-(2t.4t)；3.4-Bis-(4-methoxy-phenyl)-hexadien-(2t.4t)；1-methoxy-4-[(2E,4E)-4-(4-methoxyphenyl)hexa-2,4-dien-3-yl]benzene
• CAS: 70244-13-2
• 化学式: C₂₀H₂₂O₂
• 分子量: 294.393
• InChiKey: GGHCHJZPWTUCOG-OGBZJDJUSA-N

物化性质

• 沸点：
  408.6±25.0 °C(Predicted)
• 密度：
  1.025±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  dienestrol dimethyl ether 在 氢氧化钾 作用下， 生成 双烯雌酚
  参考文献：
  名称：

  Effect of Low-Fat and/or Low-Energy Diets on Anthropometric Measures in Participants of the Women’s Diet Study

  摘要：

  Objective: To compare the effects of low-fat, low-energy and combination low-fat/low-energy intervention on changes in six anthropometric measures in Caucasian and African-American free-living women.Methods: The effects of dietary counseling strategies for fat and/or energy reduction were examined on anthropometric measures in 86 pre-menopausal women, average BMI of 28 kg/m(2), who participated in a 12-week intervention trial called the Women's Diet Study. The dietary goals were 1510 of energy from fat and/or 25% reduction in energy intake, relative to reported baseline intake, using a 2 x 2 factorial design. Analysis of covariance models were constructed to evaluate changes in anthropometric measures over the 12 weeks of study.Results: The biggest difference by race was in women who were relatively heavier at baseline, in which case African-American women lost significantly less weight but decreased their waist:hip ratio to a significantly greater extent than Caucasian women. With regard to the effects of diet arm, weight loss varied depending on baseline weight, and in women with higher baseline weights, the combination low-fat/low-energy diet resulted in the most weight loss (6.7 kg, p < 0.05). Decreases in the other anthropometric measures at week 12 were more uniform across diet arms and did not depend on baseline values. After controlling for previous weight history and race, the decreases in BMI, percent body fat and waist circumference after 12 weeks were statistically equivalent with the low-fat, low-energy or combination low-fat/low-energy diets. The relatively greater decreases in percent body fat and waist circumference with the combination diet versus the low-fat or low-energy diets were not statistically significant.Conclusion: The low-fat, low-energy and combination diets all resulted in similar and statistically significant decreases in BMI, percent body fat and waist circumference over 12 weeks of intervention. The extent of weight loss, however, varied depending on baseline weight, and the combination diet was the only intervention to result in significant weight loss for women who were heavier at baseline. This indicates that, although there may be an advantage for reducing dietary fat in initially heavier women, any of these counseling strategies could be effective for improving anthropometric predictors of health risks associated with overweight status. This is useful since flexibility in dietary choices may facilitate adherence to dietary counseling in some individuals.

  DOI：

  10.1080/07315724.2002.10719192
• 作为产物：
  描述：

  对甲氧基苯基丙酮 在 氢氧化钾 、 sodium hydroxide 、 五氯化磷 作用下， 生成 dienestrol dimethyl ether
  参考文献：
  名称：

  Effect of Low-Fat and/or Low-Energy Diets on Anthropometric Measures in Participants of the Women’s Diet Study

  摘要：

  Objective: To compare the effects of low-fat, low-energy and combination low-fat/low-energy intervention on changes in six anthropometric measures in Caucasian and African-American free-living women.Methods: The effects of dietary counseling strategies for fat and/or energy reduction were examined on anthropometric measures in 86 pre-menopausal women, average BMI of 28 kg/m(2), who participated in a 12-week intervention trial called the Women's Diet Study. The dietary goals were 1510 of energy from fat and/or 25% reduction in energy intake, relative to reported baseline intake, using a 2 x 2 factorial design. Analysis of covariance models were constructed to evaluate changes in anthropometric measures over the 12 weeks of study.Results: The biggest difference by race was in women who were relatively heavier at baseline, in which case African-American women lost significantly less weight but decreased their waist:hip ratio to a significantly greater extent than Caucasian women. With regard to the effects of diet arm, weight loss varied depending on baseline weight, and in women with higher baseline weights, the combination low-fat/low-energy diet resulted in the most weight loss (6.7 kg, p < 0.05). Decreases in the other anthropometric measures at week 12 were more uniform across diet arms and did not depend on baseline values. After controlling for previous weight history and race, the decreases in BMI, percent body fat and waist circumference after 12 weeks were statistically equivalent with the low-fat, low-energy or combination low-fat/low-energy diets. The relatively greater decreases in percent body fat and waist circumference with the combination diet versus the low-fat or low-energy diets were not statistically significant.Conclusion: The low-fat, low-energy and combination diets all resulted in similar and statistically significant decreases in BMI, percent body fat and waist circumference over 12 weeks of intervention. The extent of weight loss, however, varied depending on baseline weight, and the combination diet was the only intervention to result in significant weight loss for women who were heavier at baseline. This indicates that, although there may be an advantage for reducing dietary fat in initially heavier women, any of these counseling strategies could be effective for improving anthropometric predictors of health risks associated with overweight status. This is useful since flexibility in dietary choices may facilitate adherence to dietary counseling in some individuals.

  DOI：

  10.1080/07315724.2002.10719192

文献信息

• Stereoselective Synthesis of Trisubstituted Vinylboronates from Ketone Enolates Triggered by 1,3‐Metalate Rearrangement of Lithium Enolates
  作者：Yue Hu、Wei Sun、Tao Zhang、Nuo Xu、Jianeng Xu、Yu Lan、Chao Liu

  DOI：10.1002/anie.201909235

  日期：2019.10.28

  unprecedented stereoselective synthesis of trisubstituted vinylboronates is reported to proceed by direct borylation of lithium ketone enolates under transition-metal-free conditions. The stereospecific C-O borylation of lithium enolates was triggered by a carbonyl-induced 1,3-metalate rearrangement via a C-bound boron enolate. DFT calculations and control experiments revealed that the stereoselectivity is controlled

  据报道，通过在无过渡金属的条件下直接酮化锂酮烯醇盐进行三取代乙烯基硼酸酯的空前的立体选择性合成。烯醇酸锂的立体有择CO硼化反应是通过C结合的硼烯醇盐由羰基诱导的1,3-金属盐重排触发的。DFT计算和控制实验表明，立体选择性受空间位阻的控制。使用新开发的方法可以方便地合成各种立体有择的三取代乙烯基硼酸酯，以及几种四取代乙烯基硼酸酯。基于立体定向乙烯基硼酸酯的转化，有效地获得了烯雌酚的单一异构体。
• The mass spectra of diethylstilbestrol and related compounds
  作者：Lewis L. Engel、Penelope J. Marshall、James C. Orr、Vernon N. Reinhold、Priscilla Carter

  DOI：10.1002/bms.1200051007

  日期：1978.10

  the mass spectra of the diethyl ether and the hexadeuteriodimethyl ether of E-3,4-bis-(p-hydroxyphenyl)-hex-3-ene were studied. Each compound gives rise to several sets of characteristic fragment ions associated with loss of alkyl groups, loss of aryl groups and rearrangements. An ion of m/e 165 (C13H9) was found in the spectra of all the compounds studied. With the aid of high resolution mass spectrometry

  E-3,4-双-（对羟基苯基）-己-3-烯（己烯雌酚），E- [1,1,1-3H3] 3,4-双-（对羟基苯基）的低分辨质谱）-己-3-烯，E-2,3-双-（对羟基苯基）-丁-2-烯（二甲基甲酚），E，E-3,4-双-（对羟基苯基）hexa-2，以4-二烯（二烯雌酚）和3,4-双-（对羟基苯基）-己烷（己雌酚）为母体化合物，考察了它们的二乙酸酯，二甲基醚和双三甲基甲硅烷基醚。另外，研究了E-3，4-双-（对羟基苯基）-己-3-烯的二乙醚和六氘代二甲基醚的质谱。每种化合物都会产生几组与烷基的丢失，芳基的丢失和重排有关的特征性碎片离子。在所有研究的化合物的光谱中发现了一个m / e 165（C13H9）离子。