1,1-diethoxy-3-methyl-butan-2-one | 6136-94-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,1-diethoxy-3-methyl-butan-2-one
• 英文别名: 3-methyl-2-oxo-butyraldehyde diethyl acetal；1,1-Diaethoxy-3-methyl-butan-2-on；Isopropylglyoxal-diaethylacetal；1,1-Diethoxy-3-methylbutan-2-one
• CAS: 6136-94-3
• 化学式: C₉H₁₈O₃
• 分子量: 174.24
• InChiKey: VAQNGLMBLFXFOT-UHFFFAOYSA-N

物化性质

• 沸点：
  70-71 °C(Press: 11 Torr)
• 密度：
  0.928±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,1-diethoxy-3-methyl-butan-2-one 在 硫酸 作用下， 生成 3-甲基-2-氧代丁醛
  参考文献：
  名称：

  Density and Water Exchange-Dependent Growth and Survival of Litopenaeus setiferus Postlarvae

  摘要：

  AbstractThis present study was designed to investigate the effects of stocking density and water exchange on the growth rate, survival and performance index of L. setiferus postlarvae under controlled laboratory conditions. The experiment was done with postlarvae (PL10 to PL40) at densities of 50, 150, 250 and 350 shrimp/m2 and various different water exchanges rate per day (0, 6, 12 and 18%). The maximum growth rate was obtained for shrimp with 12% water exchange per day at all densities. A reduction of the maximum growth rate was observed in relation to density with the highest values in shrimp stocked in a density of 50 and 150 shrimp/m2 (mean value of 0.53 mg/d) and the lowest in shrimp stocked in a density of 350 shrimp/m2 (0.24 mg/d). The multiple regression equation obtained to relate performance index (growth rate* survival : PI), shrimp density (X1) and water exchange (X2) was: PI = 0.31 + (0.001) X1+ 0.039 X2+ 2.28 × 10−6 X12+ (−0.0017) X22+ (0.000026)X1X2,R2= 0.78; P > 0.03. According to this equation the optimum shrimp density‐water exchange comhination was between 5 to 12% of water exchange at stocking density of between 50 and 150 shrimp/m2. Salinity, ammonia‐N and nitrite‐N increased according to the time spent in tanks without water exchange. With no (0%) water exchange, water quality parameters measured were outside the optimum for L. setiferus postlarvae. The use of optimum density and water exchange in a nursery system for L. setiferus with optimum variables established is proposed.

  DOI：

  10.1111/j.1749-7345.2001.tb01091.x
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 氢氧化钾 作用下， 生成 1,1-diethoxy-3-methyl-butan-2-one
  参考文献：
  名称：

  Density and Water Exchange-Dependent Growth and Survival of Litopenaeus setiferus Postlarvae

  摘要：

  AbstractThis present study was designed to investigate the effects of stocking density and water exchange on the growth rate, survival and performance index of L. setiferus postlarvae under controlled laboratory conditions. The experiment was done with postlarvae (PL10 to PL40) at densities of 50, 150, 250 and 350 shrimp/m2 and various different water exchanges rate per day (0, 6, 12 and 18%). The maximum growth rate was obtained for shrimp with 12% water exchange per day at all densities. A reduction of the maximum growth rate was observed in relation to density with the highest values in shrimp stocked in a density of 50 and 150 shrimp/m2 (mean value of 0.53 mg/d) and the lowest in shrimp stocked in a density of 350 shrimp/m2 (0.24 mg/d). The multiple regression equation obtained to relate performance index (growth rate* survival : PI), shrimp density (X1) and water exchange (X2) was: PI = 0.31 + (0.001) X1+ 0.039 X2+ 2.28 × 10−6 X12+ (−0.0017) X22+ (0.000026)X1X2,R2= 0.78; P > 0.03. According to this equation the optimum shrimp density‐water exchange comhination was between 5 to 12% of water exchange at stocking density of between 50 and 150 shrimp/m2. Salinity, ammonia‐N and nitrite‐N increased according to the time spent in tanks without water exchange. With no (0%) water exchange, water quality parameters measured were outside the optimum for L. setiferus postlarvae. The use of optimum density and water exchange in a nursery system for L. setiferus with optimum variables established is proposed.

  DOI：

  10.1111/j.1749-7345.2001.tb01091.x

文献信息

• Catalytic Asymmetric Cyanosilylation of Ketones with Chiral Lewis Base
  作者：Shi-Kai Tian、Ran Hong、Li Deng

  DOI：10.1021/ja036222p

  日期：2003.8.1

  catalytic approaches for the enantioselective creation of quaternary stereocenters remains a highly desirable yet challenging goal. In this Communication, we describe a highly enantioselective cyanosilylation of acetal ketones (alpha,alpha-dialkoxy ketones) catalyzed by modified cinchona alkaloids. This reaction is the first highly enantioselective cyanosilylation of ketones catalyzed by an organic chiral

  开发用于对映选择性创建四元立体中心的广泛适用和实用的催化方法仍然是一个非常理想但具有挑战性的目标。在本通讯中，我们描述了由改性金鸡纳生物碱催化的缩醛酮（α，α-二烷氧基酮）的高度对映选择性氰基硅烷化。该反应是第一个由有机手性路易斯碱催化的酮的高度对映选择性氰基甲硅烷基化反应，并且发现对带有广泛的烷基、芳基、烯基和炔基取代基的缩醛酮非常有效。这种新的催化不对称反应，加上缩醛官能团的多功能性，为带有四元立体中心的手性构件提供了一种广泛有用的合成方法。缩醛酮，
• Catalytic asymmetric cyanosilylation of ketones, aldehydes, thioketones, thioaldehydes, imines and hydrazones
  申请人：——

  公开号：US20030236226A1

  公开（公告）日：2003-12-25

  One aspect of the present invention relates to a method for the catalytic asymmetric cyanosilylation of ketones, aldehydes, thioketones, thioaldehydes, imines and hydrazones. The critical elements of the method are: a non-racemic chiral tertiary-amine-containing catalyst; a substrate selected from the group consisting of ketones, aldehydes, thioketones, thioaldehydes, imines and hydrazones; and a silyl cyanide, e.g., trimethylsilyl cyanide. In preferred embodiments, the substrate is a ketone or aldehyde. A preferred embodiment of the present invention relates to practicing the method in a halocarbon solvent, e.g., chloroform. Another preferred embodiment of the present invention relates to practicing the method in an ester solvent, e.g., ethyl acetate. In certain embodiments, the methods of the present invention produce a silyl cyanohydrin with an enantiomeric excess greater than about 80%. In certain embodiments, the methods of the present invention produce a silyl cyanohydrin with an enantiomeric excess greater than about 90%.

  本发明的一个方面涉及一种用于催化不对称氰硅化酮、醛、硫代酮、硫代醛、亚胺和肼酮的方法。该方法的关键要素包括：非外消旋手性三级胺含量的催化剂；从酮、醛、硫代酮、硫代醛、亚胺和肼酮组成的底物；以及硅基氰化物，例如三甲基硅基氰化物。在优选实施例中，底物为酮或醛。本发明的一个优选实施例涉及在卤代碳溶剂中（例如氯仿）实施该方法。本发明的另一个优选实施例涉及在酯溶剂中（例如乙酸乙酯）实施该方法。在某些实施例中，本发明的方法产生旋光异构体过量大约高于80%的硅基氰水合物。在某些实施例中，本发明的方法产生旋光异构体过量大约高于90%的硅基氰水合物。
• Highly Enantioselective CuAAC of Functional Tertiary Alcohols Featuring an Ethynyl Group and Their Kinetic Resolution
  作者：Kui Liao、Yi Gong、Ren‐Yi Zhu、Cai Wang、Feng Zhou、Jian Zhou

  DOI：10.1002/anie.202016286

  日期：2021.4.6

  The first highly enantioselective CuI‐catalyzed azide‐alkyne cycloaddition (CuAAC) of tertiary alcohols and their kinetic resolution is reported. This approach allows facile access to multifunctional tertiary alcohols featuring an α‐ethynyl or α‐triazole moiety, and represents the first successful kinetic resolution of racemates with a tetrasubstituted carbon stereocenter via CuAAC. Newly developed

  报道了叔醇的第一个高对映选择性的Cu I催化的叠氮化物-炔烃环加成反应（CuAAC）及其动力学拆分。这种方法可以轻松获得具有α-乙炔基或α-三唑部分的多功能叔醇，并且代表了通过CuAAC具有四取代碳立构中心的外消旋物的首次成功动力学拆分。具有C4膦酸酯基的最新开发的吡啶双恶唑啉（PYBOX）配体起着关键作用。
• Syntheses and evaluation of the bioluminescent activity of (S)-Cypridina luciferin and its analogs
  作者：Chun Wu、Kosei Kawasaki、Satoru Ohgiya、Yoshihiro Ohmiya

  DOI：10.1016/j.tetlet.2005.11.119

  日期：2006.1

  the presence of Cypridina luciferase was about 1.7 times as active as that of racemic form. Furthermore, several luciferin analogs prepared by the same condensation with different α-ketoacetal derivatives showed moderate light yield with Cypridina luciferase. These readily available Cypridina luciferin and analogs are applicable to the bioluminescent detection of Cypridina luciferase.

  赛氏丝虫萤光素是发光的球形赛氏丝虫（姬菇）hilgendorfii的生物发光的底物。球藻萤光素在仲丁基部分中含有一个手性中心。在这里，我们报告了通过（S）-1,1-二乙氧基-3-甲基戊-2--2-与硫代荧光素的缩合来制备（S）-Cypridina luciferin的简便方法。合成（S荧光素酶荧光素酶的存在下，）-荧光素的活性约为外消旋形式的活性的1.7倍。此外，通过用不同的α-酮缩醛衍生物相同的缩合反应制备的几种荧光素类似物在赛普里迪纳荧光素酶中显示出中等的光产量。这些容易获得的丝藻荧光素和类似物可用于丝藻荧光素酶的生物发光检测。
• Studies on Methylglyoxal Bis(guanylhydrazone)¹ Analogs. I. Homologs of Methylglyoxal Bis(guanylhydrazone)²
  作者：Eugene G. Podrebarac、Wayne H. Nyberg、Frederic A. French、C. C. Cheng

  DOI：10.1021/jm00339a014

  日期：1963.5