pentane-1,5-diyl bis(3-oxobutanoate) | 39564-28-8

• 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
• 英文名称: pentane-1,5-diyl bis(3-oxobutanoate)
• 英文别名: 1,5-bis-acetoacetyloxy-pentane；1,5-Bis-acetoacetyloxy-pentan；1.5-Pentanediol diacetoacetate；5-(3-oxobutanoyloxy)pentyl 3-oxobutanoate
• CAS: 39564-28-8
• 化学式: C₁₃H₂₀O₆
• 分子量: 272.298
• InChiKey: IVNZWMGUIJADOP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  19
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  86.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  三氟乙酸 、 pentane-1,5-diyl bis(3-oxobutanoate) 、 (3S,4aR)-1-amino-3-methyl-3,4,4a,5,6,7-hexahydro-2H-pyrrolo[1,2-c]pyrimidin-8-ium-7-ol;acetate 在 乙酸吗啉 、 sodium sulfate 作用下， 以 甲醇 、 水 、 乙腈 为溶剂， 生成 Trifluoro-acetate(2aR,4S,8aS)-4,7-dimethyl-8-[5-(3-oxo-butyryloxy)-pentyloxycarbonyl]-1,2,2a,3,4,5,6,8a-octahydro-5,6,8b-triaza-acenaphthylen-8b-ylium; 、
  参考文献：
  名称：

  Assembling Polycyclic Bisguanidine Motifs Resembling Batzelladine Alkaloids by Double Tethered Biginelli Condensations

  摘要：

  Double tethered Biginelli condensations furnish linked polycyclic bisguanidines or bisureas. Alteration of the bis-beta-ketoester component allows bispolycyclic guanidine motifs to be constructed that resemble natural batzelladine alkaloids or have novel linkages.

  DOI：

  10.1021/ol0357999
• 作为产物：
  描述：

  1,5-戊二醇 、 乙酰乙酸甲酯 在 4-二甲氨基吡啶 作用下， 以 甲苯 为溶剂， 反应 18.0h， 以85%的产率得到pentane-1,5-diyl bis(3-oxobutanoate)
  参考文献：
  名称：

  Assembling Polycyclic Bisguanidine Motifs Resembling Batzelladine Alkaloids by Double Tethered Biginelli Condensations

  摘要：

  Double tethered Biginelli condensations furnish linked polycyclic bisguanidines or bisureas. Alteration of the bis-beta-ketoester component allows bispolycyclic guanidine motifs to be constructed that resemble natural batzelladine alkaloids or have novel linkages.

  DOI：

  10.1021/ol0357999

文献信息

• Multicomponent Combinatorial Polymerization via the Biginelli Reaction
  作者：Haodong Xue、Yuan Zhao、Haibo Wu、Zilin Wang、Bin Yang、Yen Wei、Zhiming Wang、Lei Tao

  DOI：10.1021/jacs.6b04425

  日期：2016.7.20

  A multicomponent combinatorial polymerization method has been exploited as a new intersection between combinatorial chemistry, polymer chemistry, and organic chemistry. The tricomponent Biginelli reaction has been employed as a model multicomponent reaction (MCR) to efficiently prepare a library of polycondensates with continuously changed chain structure but different physical properties. The naturally

  多组分组合聚合方法已被用作组合化学、聚合物化学和有机化学之间的新交叉点。三组分 Biginelli 反应已被用作模型多组分反应 (MCR)，以有效地制备具有不断变化的链结构但物理性质不同的缩聚物库。自然增加的反应模块（单体）直接使库中聚合物的数量增加了一倍，有效提高了聚合物制备的效率。首次绘制了这些同源聚合物的玻璃化转变温度 (Tg) 以预测不存在的聚合物同系物的 Tg 值，并且具有良好到出色的准确度。同时，Tg图还被用来揭示Tg根据聚合物结构（连接基团、单体链长等）的规律变化，初步表明了多组分组合聚合体系的学术意义。我们相信，当前的研究为通过 MCR 合成新的聚合物库铺平了道路，并可能促进跨学科领域对 MCR 的更广泛研究。
• Aqueous two-component cross-linkable composition
  申请人：——

  公开号：US20010056137A1

  公开（公告）日：2001-12-27

  The present invention provides a water borne two-component cross-linkable composition based on an aqueous dispersion of an at least partially neutralised amino-functional epoxy derived polymer and a compound comprising at least two acetoacetate groups or acetoacetamide groups or a combination of the two groups. This composition provides coatings with high gloss, good water and solvent borne resistance, and high hardness. This composition also provides adhesives with high adhesion power.

  本发明提供了一种水性二组分交联组合物，其基于至少部分中和的氨基环氧衍生物聚合物的水性分散液和含有至少两个醋酸乙酯基团或醋酰胺基团或两种基团组合的化合物。该组合物提供具有高光泽度、良好的耐水和耐溶剂性能以及高硬度的涂层。该组合物还提供具有高粘附力的粘合剂。
• Moisture curing coating composition
  申请人：Akzo Nobel N.V.

  公开号：EP0775734A1

  公开（公告）日：1997-05-28

  Described is a coating composition comprising an organic compound comprising at least two acetoacetate groups or acetamide groups or a combination of these two groups and the oxide of a metal of Group IIa of the Periodic Table. The metal preferably is calcium or magnesium. The composition may further comprise a compound comprising at least two α,β-ethylenically unsaturated groups and, optionally, a catalyst for the reaction of the acetoacetate groups and/or acetamide groups with the α,β-ethylenically unsaturated groups.

  所述涂料组合物包含一种有机化合物，该有机化合物含有至少两个乙酰乙酸基团或乙酰胺基团或这两个基团的组合，以及元素周期表中第 IIa 族金属的氧化物。金属最好是钙或镁。该组合物还可进一步包含至少两个 α、β-乙烯不饱和基团的化合物，以及乙酰乙酸基团和/或乙酰胺基团与 α、β-乙烯不饱和基团反应的催化剂。
• Catalyst containing amidine groups
  申请人：SIKA TECHNOLOGY AG

  公开号：US10392480B2

  公开（公告）日：2019-08-27

  The use of an amidine of formula (I) and/or a conversion product thereof as a catalyst for the crosslinking of a composition based on silane group-containing polymers. The amidine of formula (I) and the conversion products thereof are essentially odorless at room temperature and non-volatile and accelerate the crosslinking of the composition very well without impairing the storage stability of the composition, and are very compatible in the composition. As a result, the compositions do not have a tendency to separate, migrate or evaporate the catalyst.

  使用式(I)的脒和/或其转化产物作为催化剂，用于基于含硅烷基聚合物的组合物的交联。式（I）的脒及其转化产物在室温下基本无味且不挥发，能很好地加速组合物的交联而不影响组合物的储存稳定性，并且在组合物中具有很好的相容性。因此，组合物不会出现催化剂分离、迁移或挥发的趋势。
• Catalyst containing guanidine groups
  申请人：SIKA TECHNOLOGY AG

  公开号：US10414875B2

  公开（公告）日：2019-09-17

  The use of a catalyst of the formula (I) for the crosslinking of a curable composition. The catalyst of the formula (I) contains at least one aliphatic guanidine group. It is substantially odorless and nonvolatile at room temperature and accelerates the crosslinking of curable compositions very efficiently, without impairing the storage stability thereof. It is particularly suitable for compositions based on polymers containing silane groups, where it has very good compatibility, as a result of which such compositions do not have a tendency to separation or migration or evaporation of the catalyst.

  将式 (I) 催化剂用于可固化组合物的交联。式（I）催化剂含有至少一个脂肪族胍基。它在室温下基本无味且不挥发，能非常有效地加速可固化组合物的交联，同时不影响其储存稳定性。它特别适用于以含有硅烷基团的聚合物为基础的组合物，具有非常好的相容性，因此，这类组合物不会出现催化剂分离、迁移或蒸发的趋势。