3-丁基-3-甲基戊烷-2,4-二酮 | 112114-45-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-丁基-3-甲基戊烷-2,4-二酮
• 英文名称: 3-butyl-3-methylpentane-2,4-dione
• CAS: 112114-45-1
• 化学式: C₁₀H₁₈O₂
• 分子量: 170.252
• InChiKey: MZXCLOJYAGPQRY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-丁基-3-甲基戊烷-2,4-二酮 在 硫酸 、 双氧水 作用下， 以 乙醇 、 水 为溶剂， 以73%的产率得到7-butyl-1,4,7-trimethyl-2,3,5,6-tetraoxabicyclo[2.2.1]heptane
  参考文献：
  名称：

  Facile and Selective Procedure for the Synthesis of Bridged 1,2,4,5-Tetraoxanes; Strong Acids As Cosolvents and Catalysts for Addition of Hydrogen Peroxide to β-Diketones

  摘要：

  A facile, experimentally simple, and selective method was developed for the synthesis of bridged 1,2,4,5-tetraoxanes based on the reaction of hydrogen peroxide with beta-diketones catalyzed by strong acids (H2SO4, HClO4, HBF4, or BF3). The yields of the target products vary from 44% to 77%. 1,2,4,5-Tetraoxanes can easily be separated from other reaction products by column chromatography. A high concentration of a strong acid is a key factor determining the selectivity of formation and the yield of 1,2,4,5-tetraoxanes. Unlike many compounds containing the O-O bond. which undergo rearrangements in acidic media, the resulting cyclic peroxides are quite stable under these conditions.

  DOI：

  10.1021/jo900226b
• 作为产物：
  描述：

  1-碘丁烷 、 3-甲基-2,4-戊烷二酮 在 N(Et)4(1+)*(2-pyrrolidone-anion) 作用下， 生成 3-丁基-3-甲基戊烷-2,4-二酮
  参考文献：
  名称：

  Electroorganic chemistry. 103. Selective C-alkylation of .beta.-diketones

  摘要：

  DOI：

  10.1021/jo00239a052

文献信息

• Convenient, High-Yield Method for the Methylation of 1,3-Diketones
  作者：Anil Choudhary、Alfons L. Baumstark

  DOI：10.1055/s-1989-27359

  日期：——

  A general method for the facile dimethylation of 1,3-diketones is presented. The method involves the use of readily available, inexpensive reagents and is carried out under mild conditions. Monomethylation may be carried out by slight modification (simplification) of the procedure. Several examples are presented which show that the method is applicable to alkylations with primary halides as well. Isolated yields for monoalkylation are approximately 95% while those for dialkylation are ≍90%. Alkylation is taking place by the reaction of the enolates of 1,3-diketones [generated in toluene by treatment with anhydrous potassium carbonate in the presence of tetraalkylammonium bromide (phase-transfer catalyst)] with alkyl halides.

  提出了一种简便的1,3-二酮的双甲基化一般方法。该方法使用易得且廉价的试剂，并在温和的条件下进行。通过对程序的轻微修改（简化），可以进行单甲基化。提供了几个示例，表明该方法同样适用于与初级卤化物的烷基化。单烷基化的分离产率约为95%，而双烷基化的产率约为90%。烷基化是通过将1,3-二酮的烯醇盐（在无水碳酸钾和四烷基铵溴化物（相转移催化剂）处理的甲苯中生成）与烷基卤化物反应实现的。
• Polyol ester compounds useful in preparation of a catalyst for olefins polymerization, process for preparing the same and use thereof
  申请人：Gao Mingzhi

  公开号：US20050096389A1

  公开（公告）日：2005-05-05

  The present application relates to polyol ester compounds, having general formula (I): R 1 CO—O—CR 3 R4-A-CR 5 R 6 —O—CO—R 2 (I) wherein, R, and R 2 groups, which may be identical or different, can be substituted or unsubstituted hydrocarbyl having 1 to 20 carbon atoms, R 3 -R 6 groups, which may be identical or different, can be selected from the group consisting of hydrogen, halogen or substituted or unsubstituted hydrocarbyl having 1 to 20 carbon atoms, R 1 -R 6 groups optionally contain one or more hetero-atoms replacing carbon, hydrogen atom or the both, said hetero-atom is selected from the group consisting of nitrogen, oxygen, sulfur, silicon, phosphorus and halogen atom, two or more of R 3 -R 6 groups can be linked to form saturated or unsaturated monocyclic or polycyclic ring; A is a single bond or bivalent linking group with chain length between two free radicals being 1-10 atoms, wherein said bivalent linking group is selected from the group consisting of aliphatic, alicyclic and aromatic bivalent radicals, and can carry C 1 -C 20 linear or branched substituents; one or more of carbon atom and/or hydrogen atom on the substituents can be replaced by a hetero-atom selected from the group consisting of nitrogen, oxygen, sulfur, silicon, phosphorus, and halogen atom, and two or more said substituents on the linking group as well as above-mentioned R 3 -R 6 groups can be linked to form saturated or unsaturated monocyclic or polycyclic ring. The compounds of formula (I) find use in preparing a catalyst for olefin polymerization.

  本申请涉及聚醇酯化合物，其一般式为（I）：R1CO-O-CR3R4-A-CR5R6-O-CO-R2（I），其中，R和R2基团可以相同或不同，可以是取代或未取代的碳氢基，其碳原子数为1到20个；R3-R6基团可以相同或不同，可以选择来自氢、卤素或取代或未取代的碳氢基的群，R1-R6基团可以选择包含一个或多个取代碳、氢原子或两者的杂原子，所述杂原子选择来自氮、氧、硫、硅、磷和卤素原子的群，其中R3-R6中的两个或更多个可以连接以形成饱和或不饱和的单环或多环环；A是单键或双价连接基团，其链长在两个自由基之间为1-10个原子，在所述双价连接基团中选择来自脂肪族、环烷和芳香族双价基团的群，并且可以携带C1-C20线性或支链取代基；取代基上的一个或多个碳原子和/或氢原子可以被选择来自氮、氧、硫、硅、磷和卤素原子的群的杂原子所取代，连接基上的两个或更多个取代基以及上述R3-R6基团可以连接以形成饱和或不饱和的单环或多环环。式（I）化合物可用于制备用于烯烃聚合的催化剂。
• CHOUDHARY, ANIL;BAUMSTARK, ALFONS L., SYNTHESIS,(1989) N, C. 688-690
  作者：CHOUDHARY, ANIL、BAUMSTARK, ALFONS L.

  DOI：——

  日期：——
• SHONO, TATSUYA;KASHIMURA, SHIGENORI;SAWAMURA, MASAYA;SOEJIMA, TAKESHI, J. ORG. CHEM., 53,(1988) N 4, 907-910
  作者：SHONO, TATSUYA、KASHIMURA, SHIGENORI、SAWAMURA, MASAYA、SOEJIMA, TAKESHI

  DOI：——

  日期：——
• POLYOL ESTER COMPOUNDS USEFUL IN PREPARATION OF A CATALYST FOR OLEFINS POLYMERIZATION, PROCESS FOR PREPARING THE SAME AND USE THEREOF
  申请人：China Petroleum & Chemical Corporation

  公开号：EP1478617A1

  公开（公告）日：2004-11-24