1,1-二乙氧基-2-丁酮 | 6136-92-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1,1-二乙氧基-2-丁酮
• 英文名称: 1,1-diethoxy-2-butanone
• 英文别名: 1,1-diethoxybutan-2-one；1,1-diethoxy-butan-2-one；2-oxo-butyraldehyde diethyl acetal；Aethylglyoxal-diaethylacetal；1,1-Diaethoxy-butan-2-on
• CAS: 6136-92-1
• 化学式: C₈H₁₆O₃
• 分子量: 160.213
• InChiKey: PSCPNUUGSYNSEH-UHFFFAOYSA-N

物化性质

• 沸点：
  64-65 °C(Press: 11 Torr)
• 密度：
  0.937±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 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：

  1,1-二乙氧基-2-丁酮 在 硫酸 作用下， 生成 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：

  2,2-diethoxy acetic acid 在 三光气 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 3.0h， 生成 1,1-二乙氧基-2-丁酮
  参考文献：
  名称：

  Efficient Preparation of α-Ketoacetals

  摘要：

  Weinreb酰胺2a，b由α，α-二甲氧基乙酸1c，d制备。在2上进行多种典型的亲核加成（RMgX和RLi），以70-99%的产率得到了α-酮缩醛3a-j。这些化合物代表着具有重要合成价值的多种官能团的灵活排列，如合成（±）-沙丁胺醇所示。

  DOI：

  10.3390/molecules171213864

文献信息

• A CONVENIENT METHOD FOR THE PREPARATION OF α-KETOACETALS
  作者：Maciej Adamczyk、Donald D. Johnson、Phillip G. Mattingly、You Pan、Rajarathnam E. Reddy

  DOI：10.1081/scc-120013744

  日期：2002.1.1

  ABSTRACT A convenient method for the preparation of α-ketoacetal derivatives 2a–g was developed by addition of Grignard reagent (1a–g) to commercially available ethyl diethoxyacetate (3) in 60–96% yield.

  摘要 通过将格氏试剂 (1a-g) 添加到市售的二乙氧基乙酸乙酯 (3) 中，以 60-96% 的产率开发了一种制备 α-酮缩醛衍生物 2a-g 的简便方法。
• [EN] CARBONYL CONTAINING COMPOUNDS FOR CONTROLLING AND REPELLING CIMICIDAE POPULATIONS<br/>[FR] COMPOSÉS CONTENANT UN CARBONYLE POUR MAÎTRISER ET REPOUSSER DES POPULATIONS DE CIMICIDAE
  申请人：SEMIOSBIO TECHNOLOGIES INC

  公开号：WO2012129702A1

  公开（公告）日：2012-10-04

  Compositions and methods for controlling and/or repelling bedbugs are provided. The compositions comprise one or more compounds having bedbug repellant activity. Such compounds may be, for example, naturally occurring semiochemicals or structural or functional analogs of naturally occurring semiochemicals. Exemplary compounds are compounds of general formula (I).

  提供用于控制和/或驱避臭虫的组合物和方法。这些组合物包括具有驱避臭虫活性的一个或多个化合物。这些化合物可能是自然发生的信息素或自然发生的信息素的结构或功能类似物，例如通式(I)的化合物。
• 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。
• IMIDAZOTRIAZINES AND IMIDAZOPYRIMIDINES AS KINASE INHIBITORS
  申请人：Incyte Holdings Corporation

  公开号：US20160326178A1

  公开（公告）日：2016-11-10

  The present invention is directed to imidazo[1,2-b][1,2,4]triazines and imidazo[1,2-a]pyrimidines, and pharmaceutical compositions thereof, which are inhibitors of kinases such as c-Met and are useful in the treatment of cancer and other diseases related to the dysregulation of kinase pathways.

  本发明涉及咪唑[1,2-b][1,2,4]三嗪和咪唑[1,2-a]嘧啶，以及其制成的药物组合物，该组合物是c-Met激酶抑制剂，可用于治疗癌症和与激酶通路失调有关的其他疾病。
• PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS
  申请人：Alder Catherine Mary

  公开号：US20120058984A1

  公开（公告）日：2012-03-08

  The invention is directed to certain novel compounds. Specifically, the invention is directed to compounds of formula (I): and salts thereof. The compounds of the invention are inhibitors of kinase activity, in particular Itk activity.

  本发明涉及某些新型化合物。具体而言，本发明涉及公式（I）的化合物及其盐。本发明的化合物是激酶活性抑制剂，特别是Itk活性抑制剂。