3-octanone dimethyl acetal | 116549-39-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-octanone dimethyl acetal
• 英文别名: dimethoxyoctane；octan-3-one-dimethylacetal；Octan-3-on-dimethylacetal；3.3-Dimethoxy-octan；Aethyl-pentyl-keton-dimethylacetal；3,3-Dimethoxyoctane；3,3-dimethoxyoctane
• CAS: 116549-39-4
• 化学式: C₁₀H₂₂O₂
• 分子量: 174.283
• InChiKey: SWEWXXSAFUVMNN-UHFFFAOYSA-N

物化性质

• 沸点：
  90-92 °C(Press: 26 Torr)
• 密度：
  0.8552 g/cm3(Temp: 25 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  12
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 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：

  3-octanone dimethyl acetal 生成 3-辛酮
  参考文献：
  名称：

  Hennion; Nieuwland, Journal of the American Chemical Society, 1935, vol. 57, p. 2007

  摘要：

  DOI：
• 作为产物：
  描述：

  sodium,hept-1-yne 在 氨 作用下， 生成 3-octanone dimethyl acetal
  参考文献：
  名称：

  Hennion; Nieuwland, Journal of the American Chemical Society, 1935, vol. 57, p. 2007

  摘要：

  DOI：

文献信息

• Enzymatic process for the preparation of butyrolactones
  申请人：Lonza Ltd

  公开号：EP2634180A1

  公开（公告）日：2013-09-04

  The invention relates to a process for the preparation of a compound of formula wherein R1 is selected from the group consisting of hydrogen, C2-11-acyl, C4-9-cycloalkanoyl, aryl, aralkyl, aroyl, hetaryl, hetaralkyl and hetaroyl, comprising a biotransformation of a compound of formula wherein R1 is as defined above, wherein said biotransformation is carried out using a polypeptide having aldo-keto reductase activity or a microorganism containing same.

  这项发明涉及一种制备下式化合物的方法 其中R1选自羟基、C2-11-酰基、C4-9-环烷酰基、芳基、芳基烷基、芳酰基、杂芳基、杂芳基烷基和杂芳酰基的群组，包括利用下式化合物的生物转化 其中R1如上定义，所述生物转化是利用具有醛酮还原酶活性的多肽或含有该多肽的微生物进行的。
• Simple Method for the Preparation of Dimethyl Acetals from Ketones with Montmorillonite K 10 and p‐Toluenesulfonic Acid
  作者：Horacio Mansilla、David Regás

  DOI：10.1080/00397910600639315

  日期：2006.6

  Abstract A simple method for conversion of ketones to their corresponding dimethyl acetals using montmorillonite K 10 and p‐toluenesulfonic acid as acidic cocatalysts under very mild reaction conditions is described.

  摘要描述了一种在非常温和的反应条件下使用蒙脱石 K 10 和对甲苯磺酸作为酸性助催化剂将酮转化为其相应二甲基缩醛的简单方法。
• Iron(III) Tosylate in the Preparation of Dimethyl and Diethyl Acetals from Ketones and <font> <b>β</b> </font>-Keto Enol Ethers from Cyclic <font> <b>β</b> </font>-Diketones
  作者：Horacio Mansilla、María M. Afonso

  DOI：10.1080/00397910802219361

  日期：2008.7.24

  Abstract An efficient method for conversion of ketones to their corresponding dimethyl and diethyl acetals and of cyclic β-diketones into β-keto enol ethers using Fe(OTs)3 as a catalyst is described.

  摘要 描述了一种使用 Fe(OTs)3 作为催化剂将酮转化为相应的二甲基和二乙基缩醛以及将环状 β-二酮转化为 β-酮烯醇醚的有效方法。
• Addition products of acetylene and alcohol and process of producing them
  申请人：DU PONT

  公开号：US02140713A1

  公开（公告）日：1938-12-20
• Synthesis of Fatty Trichloromethyl-β-diketones and New 1<i>H</i>-Pyrazoles as Unusual FAMEs and FAEEs
  作者：Alex F. C. Flores、Rogerio F. Blanco、Alynne A. Souto、Juliana L. Malavolta、Darlene C. Flores

  DOI：10.5935/0103-5053.20130237

  日期：——

  The efficient synthesis of new fatty 1,1,1-trichloro-4-methoxy-3-alken-2-ones [Cl3CC(O)C(R-2)=C(R-1)OMe, where R-1=n-hexyl, heptyl, nonyl, undecyl, tridecyl and R-2 = H] and 1,1,1-trichloro-2,4-alkanediones [Cl3CC(O)(CHRC)-C-2(O)R-1, where R-1 = n-pentyl and R-2 = Me, R-1 = Et and R-2 = n-butyl, R-1 = n-butyl and R-2 = n-propyl] in good yields (85-95%) from acetal acylation with trichloroacetyl chloride is reported. The fatty 1,1,1-trichloro-4-methoxy-3-alken-2-ones and 1,1,1-trichloro-2,4-alkanediones were reacted with hydrazine hydrochloride, leading to respective 1H-pyrazole-5-carboxylates, unusual class of fatty acid methyl (FAMEs) and ethyl (FAEEs) esters. Their structures were confirmed by elemental analysis and H-1 and C-13 nuclear magnetic resonance (NMR). The fatty 1,1,1-trichloro-4-methoxy-3-alken-2-ones and 1H-pyrazole derivatives are new oleochemicals with potentially interesting and differential properties.