methyl 5,7-dioxooctanoate | 127528-49-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl 5,7-dioxooctanoate
• 英文别名: Methyl 5,7-dioxooctanoate
• CAS: 127528-49-8
• 化学式: C₉H₁₄O₄
• 分子量: 186.208
• InChiKey: PROOHRFTWYWZAA-UHFFFAOYSA-N

物化性质

• 沸点：
  278.9±15.0 °C(Predicted)
• 密度：
  1.065±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  13
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  60.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 5,7-dioxooctanoate 在 (S)-Ru-BINAP 氢气 作用下， 以 甲醇 为溶剂， 80.0 ℃ 、4.0 MPa 条件下， 反应 120.0h， 生成 methyl (5S,7S)-5,7-dihydroxyoctanoate
  参考文献：
  名称：

  Absolute Configuration and Synthesis of β- and δ-Lactones Present in the Pheromone System of the Giant White Butterfly Idea leuconoe

  摘要：

  Males of the giant white butterfly Idea leuconoe release a complex mixture of compounds during courtship. Besides alkaloids, aromatics, terpenoids and hydrocarbons, several lactones have been identified in the pheromone bouquet. Two simple stereoselective methods to create the lactones in good enantiomeric excesses have been developed. The generation of the stereocenters of the beta-lactones 1a and 1b is based on a controlled C-C coupling by a Horner-Wadsworth-Emmons approach, followed by asymmetric dihydroxylation, whereas the synthesis of the delta-lactone 3b uses an enantioselective hydrogenation of a dioxoalkanoate precursor. The absolute configurations of the natural lactones 1a, 1b and 3b were determined by gas chromatography on a chiral stationary phase. Both 1a and 1b are of (S,S) configuration, suggesting their biosynthetic origin from (-)-viridifloric acid (7a) or (-)norviridifloric acid (7b), respectively. In contrast, natural 3b is a mixture of all enantiomers, in which the (5S,7S) enantiomer dominates.

  DOI：

  10.1002/1099-0690(200211)2002:22<3884::aid-ejoc3884>3.0.co;2-4
• 作为产物：
  描述：

  4-氯甲酰基丁酸甲酯 在 magnesium ethylate 、 二甲基亚砜 、 sodium chloride 作用下， 以 甲醇 、 乙醚 、 水 为溶剂， 反应 8.0h， 生成 methyl 5,7-dioxooctanoate
  参考文献：
  名称：

  Absolute Configuration and Synthesis of β- and δ-Lactones Present in the Pheromone System of the Giant White Butterfly Idea leuconoe

  摘要：

  Males of the giant white butterfly Idea leuconoe release a complex mixture of compounds during courtship. Besides alkaloids, aromatics, terpenoids and hydrocarbons, several lactones have been identified in the pheromone bouquet. Two simple stereoselective methods to create the lactones in good enantiomeric excesses have been developed. The generation of the stereocenters of the beta-lactones 1a and 1b is based on a controlled C-C coupling by a Horner-Wadsworth-Emmons approach, followed by asymmetric dihydroxylation, whereas the synthesis of the delta-lactone 3b uses an enantioselective hydrogenation of a dioxoalkanoate precursor. The absolute configurations of the natural lactones 1a, 1b and 3b were determined by gas chromatography on a chiral stationary phase. Both 1a and 1b are of (S,S) configuration, suggesting their biosynthetic origin from (-)-viridifloric acid (7a) or (-)norviridifloric acid (7b), respectively. In contrast, natural 3b is a mixture of all enantiomers, in which the (5S,7S) enantiomer dominates.

  DOI：

  10.1002/1099-0690(200211)2002:22<3884::aid-ejoc3884>3.0.co;2-4

文献信息

• ALKALI-DEVELOPABLE PHOTOSENSITIVE RESIN COMPOSITION AND BETA-DIKETONE COMPOUND
  申请人：Yamada Takashi

  公开号：US20100129753A1

  公开（公告）日：2010-05-27

  An alkali developable photosensitive resin composition contains (J) a photopolymerizable unsaturated compound having a structure resulting from the addition reaction of (B) a compound having a β-diketone moiety or a compound having a β-ketoester group to the (meth)acryloyl group of (A) a compound having at least two (meth)acryloyl groups and a hydroxyl group and subsequent esterification of the hydroxyl group of the resulting addition product with (C) a polybasic acid anhydride. The compound having a β-diketone moiety is preferably a novel β-diketone compound represented by general formula (I): wherein R 1 is a C1-C20 alkyl group; R 2 represents R 11 , OR 11 , COR 11 , SR 11 , CONR 12 R 13 , or CN; R 11 , R 12 , and R 13 are each hydrogen, a C1-C20 alkyl group, etc.; a is 0 to 3; and b is 0 to 4.

  一种可由碱显影的光敏树脂组合物，含有（J）一种光聚合不饱和化合物，该化合物的结构是由（B）含β-二酮基团或含β-酮酯基团的化合物与（A）含至少两个(甲基)丙烯酰基团和一个羟基的化合物中的(甲基)丙烯酰基团发生加成反应，并随后将所得加成产物的羟基与（C）多元酸酐进行酯化反应得到的。含β-二酮基团的化合物最好是表示为通用公式（I）的一种新型β-二酮化合物：其中R1是C1-C20烷基团；R2代表R11、OR11、COR11、SR11、CONR12R13或CN；R11、R12和R13分别是氢、C1-C20烷基团等；a是0到3；b是0到4。
• SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS
  申请人：Bristol-Myers Squibb Company

  公开号：US20150315200A1

  公开（公告）日：2015-11-05

  The present invention provides compounds of Formula (I): or stereoisomers, pharmaceutically acceptable salts thereof, wherein all of the variables are as defined herein. These compounds are inhibitors of factor XIa and/or plasma kallikrein which may be used as medicaments.

  本发明提供公式（I）的化合物或立体异构体，其药学上可接受的盐，其中所有变量如此定义。这些化合物是XIa因子和/或血浆卡利肌酶的抑制剂，可用作药物。
• Curable mixtures
  申请人：DAINIPPON INK AND CHEMICALS, INC.

  公开号：EP1323760A2

  公开（公告）日：2003-07-02

  A catalyst suitable for crosslinking reaction of a compound containing α,β-unsaturated carbonyl groups and a compound containing a CH-acidic methylene group is provided. A curable mixture comprises at least one compound containing at least two α,β-unsaturated carbonyl groups and at least one compound containing at least one CH-acidic methylene group and at least one trialkylphosphine.

  本发明提供了一种适用于含有α，β-不饱和羰基的化合物和含有 CH-酸性亚甲基的化合物进行交联反应的催化剂。可固化混合物包括至少一种含有至少两个 α，β-不饱和羰基的化合物和至少一种含有至少一个 CH-酸性亚甲基和至少一个三烷基膦的化合物。
• Photocurable composition, process for producing photocurable resin, and crosslinked product
  申请人：DAINIPPON INK AND CHEMICALS, INC.

  公开号：EP1342738A1

  公开（公告）日：2003-09-10

  A photocurable composition is provided which yields an excellent tack-free, hard cured product without any addition of photoinitiators. A photocurable composition which is excellent in storage stability is also provided. The photocurable composition contains a resin having an acryloyl group and a chemical structure element selected from the group consisting of β-diketone groups and β-ketoester groups, wherein the β-diketone group or the β-ketoester group has a tetra-substituted carbon atom between two carbonyl groups, which is capable of generating one or two free radicals under photoirradiation, and the photocurable composition does not increase more than 25% in viscosity when heated at 60°C for 5 days.

  本发明提供了一种光固化组合物，无需添加任何光引发剂，即可获得极佳的无粘性硬固化产品。此外，还提供了一种储存稳定性极佳的光固化组合物。这种光固化组合物含有一种具有丙烯酰基和化学结构元素的树脂，该化学结构元素选自 β-二酮基和 β-酮酯基组成的组，其中 β-二酮基或 β-酮酯基在两个羰基之间有一个四取代碳原子，在光照射下能产生一个或两个自由基，在 60°C 下加热 5 天，光固化组合物的粘度增加不超过 25%。
• Initiator-free crosslinkable oligomers and polymers
  申请人：DAINIPPON INK AND CHEMICALS, INC.

  公开号：EP1342737A1

  公开（公告）日：2003-09-10

  Acrylate group-containing oligomers and polymers that produce hard, tack-free and crosslinked products in the presence of air under UV light free from added photoinitiator, obtainable by reacting monomeric, oligomeric or polymeric β-ketoesters and β-diketones with monomeric, oligomeric or polymeric acrylic acid esters, wherein a) the acrylic acid esters that are used are at least difunctional b) the reaction is carried out in the presence of 0.3-5.0 wt.% of catalyst c) the reaction temperature is 60°-140°C d) the reaction temperature is maintained until the viscosity of the acrylate group-containing oligomers and polymers that are formed is constant e) the ratio of acrylic acid groups to β-dicarbonyl groups is 2.5:1 to 20:1. The acrylate group-containing oligomers and polymers are suitable for producing UV-hardenable coatings, printing inks, adhesives, sheets and moulding compositions.

  含丙烯酸酯基团的低聚物和聚合物，可通过使单体、低聚或聚合的 β-酮酯和β-二酮与单体、低聚或聚合的丙烯酸酯反应，在空气存在下，在不添加光引发剂的紫外光下生成坚硬、无粘性和交联的产品，其中 a) 所使用的丙烯酸酯至少具有双官能度 b) 反应在 0.3-5.0 重量百分比的催化剂存在下进行 c) 反应温度为 60°-140°C d) 反应温度保持恒定，直至形成的含丙烯酸酯基团的低聚物和聚合物的粘度不变 e) 丙烯酸基团与 β-二羰基基团的比例为 2.5:1 至 20:1。 含丙烯酸酯基团的低聚物和聚合物适用于生产紫外线硬化涂料、印刷油墨、粘合剂、板材和模塑组合物。