2-乙酰基-3-氧代丁酸 | 4433-82-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 中文名称: 2-乙酰基-3-氧代丁酸
• 英文名称: 2-acetyl-3-oxobutanoic acid
• CAS: 4433-82-3
• 化学式: C₆H₈O₄
• 分子量: 144.127
• InChiKey: PVGHQBCTMALNFO-UHFFFAOYSA-N

物化性质

• 沸点：
  272.5±30.0 °C(Predicted)
• 密度：
  1.233±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  71.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,3,5-三甲基-2,5-环己二烯-1,4-二酮 、 过氧乙酸 生成 2-乙酰基-3-氧代丁酸
  参考文献：
  名称：

  XARCHUK V. G.; KOLENKO I. P.; PETROV L. A.; GUSKOVA L. M., ZH. ORGAN. XIMII, 22,(1986) N 11, 2306-2315

  摘要：

  DOI：

文献信息

• [EN] CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS<br/>[FR] COMPOSÉS MACROCYCLIQUES ENTIÈREMENT SYNTHÉTIQUES, À CONFORMATION CONTRAINTE
  申请人：POLYPHOR AG

  公开号：WO2011015241A1

  公开（公告）日：2011-02-10

  Conformationally restricted, spatially defined 12-30 membered macrocyclic ring systems of type (I) are constituted by three distinct building blocks: an aromatic template a, a conformation modulator b and a spacer moiety c as detailed in the description and the claims. Macrocycles of type (I) are readily manufactured by parallel synthesis or combinatorial chemistry. They are designed to interact with specific biological targets. In particular, they show agonistic or antagonistic activity on the motilin receptor (MR receptor), on the serotonin receptor of subtype 5-HT2B (5-HT2B receptor), and on the prostaglandin F2 • receptor (FP receptor). They are thus potentially useful for the treatment of hypomotility disorders of the gastrointestinal tract such as diabetic gastroparesis and constipation type irritable bowl syndrome; of CNS related diseases like migraine, schizophrenia, psychosis or depression; of ocular hypertension such as associated with glaucoma and preterm labour.

  构象受限、空间定义的12-30元大环环系统(I型)由三个不同的构建模块组成：芳香模板a、构象调节剂b和间隔基团c，详细描述在说明书和专利要求中。I型大环可通过并行合成或组合化学方法轻松制备。它们设计用于与特定生物靶点相互作用。特别是，它们在胃动素受体(MR受体)、5-羟色胺受体亚型5-HT2B(5-HT2B受体)和前列腺素F2•受体(FP受体)上显示激动或拮抗活性。因此，它们潜在用于治疗胃肠道低动力障碍，如糖尿病性胃轻瘫和便秘型肠易激综合征；中枢神经系统相关疾病，如偏头痛、精神分裂症、精神病或抑郁症；眼压增高，如青光眼和早产。
• CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS
  申请人：Obrecht Daniel

  公开号：US20120202821A1

  公开（公告）日：2012-08-09

  Conformationally restricted, spatially defined 12-30 membered macrocyclic ring systems of type (I) are constituted by three distinct building blocks: an aromatic template a, a conformation modulator b and a spacer moiety c as detailed in the description and the claims. Macrocycles of type (I) are readily manufactured by parallel synthesis or combinatorial chemistry. They are designed to interact with specific biological targets. In particular, they show agonistic or antagonistic activity on the motilin receptor (MR receptor), on the serotonin receptor of subtype 5-HT 2B (5-HT 2B receptor), and on the prostaglandin F2•receptor (FP receptor). They are thus potentially useful for the treatment of hypomotility disorders of the gastrointestinal tract such as diabetic gastroparesis and constipation type irritable bowl syndrome; of CNS related diseases like migraine, schizophrenia, psychosis or depression; of ocular hypertension such as associated with glaucoma and preterm labour.

  构象受限、空间定义的12-30环大环环系统(I型)由三个不同的构建模块组成：芳香模板a、构象调节剂b和间隔基团c，如详细描述和索赔中所述。类型(I)的大环可通过并行合成或组合化学方法轻松制备。它们被设计用于与特定生物靶点相互作用。特别是，它们在胃动素受体(MR受体)、5-HT2B亚型的5-羟色胺受体(5-HT2B受体)和前列腺素F2受体(FP受体)上显示出激动或拮抗活性。因此，它们潜在地可用于治疗胃肠道低动力障碍，如糖尿病性胃轻瘫和便秘型肠易激综合征；中枢神经系统相关疾病，如偏头痛、精神分裂症、精神病或抑郁症；眼压增高，如青光眼和早产。
• Photocatalytic Carboxylation of Organic Substrates with Carbon Dioxide at Zinc Sulfide with Deposited Ruthenium Nanoparticles
  作者：Tomasz Baran、Angela Dibenedetto、Michele Aresta、Krzysztof Kruczała、Wojciech Macyk

  DOI：10.1002/cplu.201300438

  日期：2014.5

  Photocatalytic carboxylation of acetylacetone with carbon dioxide has been performed by using ZnS‐based photocatalysts. The formation of two isomeric carboxylic acids, as proven by IR and 13C NMR spectroscopy, was observed. The reaction yield was enhanced after deposition of ruthenium nanoparticles on ZnS. The reaction encompasses ruthenium‐mediated one‐electron reduction of CO2 to CO2.− with electrons

  乙酰丙酮与二氧化碳的光催化羧化反应已通过使用基于ZnS的光催化剂进行。观察到两种异构羧酸的形成，如通过IR和13 C NMR光谱所证实的。将钌纳米颗粒沉积在ZnS上后，反应产率得到了提高。该反应包括CO的钌介导的单电子还原2至CO 2 .-与硫化锌的导带和乙酰丙酮中的一个孔氧化到相关的自由基的电子。光生自由基的偶联导致形成羧酸。产生CO 2 .−已经通过自旋阱EPR测量得到了证实。本文描述的工艺可能会发现利用二氧化碳从C n底物进行太阳光驱动绿色合成C n +1羧酸化合物的应用。
• Curable resin composition and cold-setting adhesive
  申请人：Mori Shigeki

  公开号：US20060189736A1

  公开（公告）日：2006-08-24

  Disclosed is a moisture-curing type curable resin composition containing: a curable resin intramolecularly having a silicon-containing functional group; and a Lewis acid or a complex of the Lewis acid as a curing catalyst, the Lewis acid being selected from the group consisting of metal halides and boron halides, which is rapidly cured at room temperature. The silicon-containing functional group is represented by general formula: —SiX 1 X 2 X 3 or —SiR 1 X 1 X 2 (wherein, X 1 , X 2 and X 3 respectively represent a hydrolytic group and may be the same as or different from each other, and R 1 represents a substituted or unsubstituted organic group having 1 to 20 carbons). If the silicon-containing functional group is —SiR 1 X 1 X 2 , the curable resin further contains intramolecularly a polar component that is one of urethane, thiourethane, urea, thiourea, substituted urea, substituted thiourea, amide, and sulfide bonds, and hydroxyl, secondary amino and tertiary amino groups. Two-part type adhesive is constitutible with separating the curable resin from the curing catalyst.

  本发明公开了一种含有湿气硬化型可硬化树脂组分，包括：具有含硅官能团的可硬化树脂分子内部；以及一种Lewis酸或Lewis酸的复合物作为固化催化剂，所述Lewis酸选自金属卤化物和硼卤化物组成的群体，该组分在室温下迅速固化。所述含硅官能团由下式表示：—SiX1X2X3或—SiR1X1X2（其中，X1、X2和X3分别表示水解基团，可以相同也可以不同，R1表示具有1到20个碳的取代或未取代的有机基团）。如果所述含硅官能团为—SiR1X1X2，则可硬化树脂还包括分子内部的极性成分，该极性成分是尿素、硫脲、脲、硫代脲、取代脲、取代硫脲、酰胺和硫化物键以及羟基、二级胺和三级胺基之一。两部分型粘合剂可通过将可硬化树脂与固化催化剂分离而形成。
• Curable Resin Composition and Cold Setting Adhesive
  申请人：Mori Shigeki

  公开号：US20090264602A1

  公开（公告）日：2009-10-22

  Disclosed is a moisture-curing type curable resin composition containing: a curable resin intramolecularly having a silicon-containing functional group; and a Lewis acid or a complex of the Lewis acid as a curing catalyst, the Lewis acid being selected from the group consisting of metal halides and boron halides, which is rapidly cured at room temperature. The silicon-containing functional group is represented by general formula: —SiX 1 X 2 X 3 or —SiR 1 X 1 X 2 (wherein, X 1 , X 2 and X 3 respectively represent a hydrolytic group and may be the same as or different from each other, and R 1 represents a substituted or unsubstituted organic group having 1 to 20 carbons). If the silicon-containing functional group is —SiR 1 X 1 X 2 , the curable resin further contains intramolecularly a polar component that is one of urethane, thiourethane, urea, thiourea, substituted urea, substituted thiourea, amide, and sulfide bonds, and hydroxyl, secondary amino and tertiary amino groups. Two-part type adhesive is constitutible with separating the curable resin from the curing catalyst.

  本发明公开了一种含有湿度固化型可固化树脂组成物，包括：具有硅含有官能团的可固化树脂分子内部；以及作为固化催化剂的路易斯酸或路易斯酸的复合物，所述路易斯酸选择自金属卤化物和硼卤化物的组中，该组成物在室温下快速固化。硅含有官能团由通式表示：—SiX1X2X3或—SiR1X1X2（其中，X1、X2和X3分别表示一个水解基团，可以相同或不同，R1表示具有1到20个碳的取代或未取代的有机基团）。如果硅含有官能团为—SiR1X1X2，则可固化树脂还包含分子内部的极性组分之一，该极性组分为脲、硫脲、尿素、硫代尿素、取代尿素、取代硫脲、酰胺和硫化物键以及羟基、次级氨基和三级氨基基团。可将可固化树脂与固化催化剂分离以构成两部分型粘合剂。