3-Oxo-2,2,4-trimethyl-valeriansaeure-(2,2-dimethyl-trimethylen-glykol)-ester | 4447-65-8

• 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: 3-Oxo-2,2,4-trimethyl-valeriansaeure-(2,2-dimethyl-trimethylen-glykol)-ester
• 英文别名: 3-hydroxy-2,2-dimethylpropyl 2,2,4-trimethyl-3-oxopentanoate；3-Hydroxy-2,2-dimethylpropyl 2,2,4-trimethyl-3-oxopentanoate；(3-hydroxy-2,2-dimethylpropyl) 2,2,4-trimethyl-3-oxopentanoate
• CAS: 4447-65-8
• 化学式: C₁₃H₂₄O₄
• 分子量: 244.331
• InChiKey: WRPBBBZRXYIXLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-Oxo-2,2,4-trimethyl-valeriansaeure-(2,2-dimethyl-trimethylen-glykol)-ester 、 甲基丙烯酰氯 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 8.5h， 生成 3-(methacryloyloxy)-2,2-dimethylpropyl 2,2,4-trimethyl-3-oxopentanoate
  参考文献：
  名称：

  [EN] SUBSTITUTED 3-OXOPENTANOATES AND THEIR USES IN COATING COMPOSITIONS
  [FR] 3-OXOPENTANOATES SUBSTITUÉS ET LEURS UTILISATIONS DANS COMPOSITIONS DE REVÊTEMENT

  摘要：

  公开了对应于以下式子1的3-氧代戊酸酯替代物：其中R是氢或甲基基团；X是直链、支链或环烷基或烷基醚基团，其具有1至15个碳原子或芳香基团，其具有6至15个碳原子；Y1和Y2分别独立地是氢或具有1至2个碳原子的烷基。还公开了包含来自3-氧代戊酸酯单体的残基的乳液聚合物、悬浮聚合物和溶液聚合物，可能还包括一个或多个额外的乙烯基不饱和单体。还公开了包括乳胶乳聚合物和作为胶合剂提供的式子1的3-氧代戊酸酯单体的涂料组合物。

  公开号：

  WO2012082340A1
• 作为产物：
  描述：

  四甲基环丁烷-1,3-二酮 、 2,2-二甲基-1,3-丙二醇 在 potassium carbonate 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 3-Oxo-2,2,4-trimethyl-valeriansaeure-(2,2-dimethyl-trimethylen-glykol)-ester
  参考文献：
  名称：

  [EN] SUBSTITUTED 3-OXOPENTANOATES AND THEIR USES IN COATING COMPOSITIONS
  [FR] 3-OXOPENTANOATES SUBSTITUÉS ET LEURS UTILISATIONS DANS COMPOSITIONS DE REVÊTEMENT

  摘要：

  公开了对应于以下式子1的3-氧代戊酸酯替代物：其中R是氢或甲基基团；X是直链、支链或环烷基或烷基醚基团，其具有1至15个碳原子或芳香基团，其具有6至15个碳原子；Y1和Y2分别独立地是氢或具有1至2个碳原子的烷基。还公开了包含来自3-氧代戊酸酯单体的残基的乳液聚合物、悬浮聚合物和溶液聚合物，可能还包括一个或多个额外的乙烯基不饱和单体。还公开了包括乳胶乳聚合物和作为胶合剂提供的式子1的3-氧代戊酸酯单体的涂料组合物。

  公开号：

  WO2012082340A1

文献信息

• SUBSTITUTED 3-OXOPENTANOATES AND THEIR USES IN COATING COMPOSITIONS
  申请人：Maddox John Thorton

  公开号：US20120157609A1

  公开（公告）日：2012-06-21

  Substituted 3-oxopentanoates are disclosed that correspond to the following formula 1: in which R is hydrogen, or a methyl group; X is a straight-chain, branched, or cyclic alkyl or alkyl ether group having from 1 to 15 carbon atoms or aromatic group having from 6 to 15 carbon atoms; and Y1 and Y2 are independently hydrogen or an alkyl having 1 to 2 carbon atoms. Also disclosed are emulsion polymers, suspension polymers, and solution polymers that comprise residues from the substituted 3-oxopentanoate monomers, and that may also include one or more additional ethylenically unsaturated monomers. Also disclosed are coating compositions that include a latex emulsion polymer and the substituted 3-oxopentanoate monomer of formula 1 provided as a coalescent.

  本文披露了对应于以下公式1的3-氧代戊酸酯的替代物，其中R是氢或甲基基团; X是直链，支链或环烷基或烷基醚基团，其具有1至15个碳原子或芳基团，其具有6至15个碳原子; Y1和Y2独立地是氢或具有1至2个碳原子的烷基。还披露了包含来自替代的3-氧代戊酸酯单体的残基的乳液聚合物，悬浮聚合物和溶液聚合物，可能还包括一个或多个额外的乙烯基不饱和单体。还披露了包括乳胶乳液聚合物和提供作为涂覆剂的共混剂的公式1的替代的3-氧代戊酸酯单体。
• WATERBORNE COATING COMPOSITIONS THAT INCLUDE 2,2,4-TRIMETHYL-3-OXOPENTANOATE ESTERS AS REACTIVE COALESCENTS
  申请人：Maddox John Thorton

  公开号：US20120157614A1

  公开（公告）日：2012-06-21

  Waterborne coating compositions are disclosed that include a latex emulsion polymer, and, as a reactive coalescent, a 2,2,4-trimethyl-3-oxopentanoate ester. The coating compositions of the invention have a reduced VOC content, and provide improved coalescing activity.

  本发明揭示了一种水性涂料组合物，包括乳胶乳化聚合物和作为反应性结合剂的2,2,4-三甲基-3-氧代戊酸酯。本发明的涂料组合物具有较低的挥发性有机化合物含量，并提供了改进的结合活性。
• Substituted 3-oxopentanoates and their uses in coating compositions
  申请人：Maddox John Thorton

  公开号：US08809446B2

  公开（公告）日：2014-08-19

  Substituted 3-oxopentanoates are disclosed that correspond to the following formula 1: in which R is hydrogen, or a methyl group; X is a straight-chain, branched, or cyclic alkyl or alkyl ether group having from 1 to 15 carbon atoms or aromatic group having from 6 to 15 carbon atoms; and Y1 and Y2 are independently hydrogen or an alkyl having 1 to 2 carbon atoms. Also disclosed are emulsion polymers, suspension polymers, and solution polymers that comprise residues from the substituted 3-oxopentanoate monomers, and that may also include one or more additional ethylenically unsaturated monomers. Also disclosed are coating compositions that include a latex emulsion polymer and the substituted 3-oxopentanoate monomer of formula 1 provided as a coalescent.

  本文披露了与以下式子1相对应的3-氧代戊酸酯替代物，其中R为氢或甲基基团；X为直链、支链或环烷基或烷基醚基团，具有1至15个碳原子或芳基团，具有6至15个碳原子；Y1和Y2独立地为氢或具有1至2个碳原子的烷基。本文还披露了乳液聚合物、悬浮聚合物和溶液聚合物，其中包括来自替代的3-氧代戊酸酯单体的残留物，并且还可以包括一个或多个额外的乙烯基不饱和单体。本文还披露了包括乳胶乳聚合物和提供为合成剂的公式1的替代的3-氧代戊酸酯单体的涂料组合物。
• Waterborne coating compositions that include 2,2,4-trimethyl-3-oxopentanoate esters as reactive coalescents
  申请人：Maddox John Thorton

  公开号：US09029451B2

  公开（公告）日：2015-05-12

  Waterborne coating compositions are disclosed that include a latex emulsion polymer, and, as a reactive coalescent, a 2,2,4-trimethyl-3-oxopentanoate ester. The coating compositions of the invention have a reduced VOC content, and provide improved coalescing activity.

  本发明揭示了一种水性涂料组合物，包括乳胶乳液聚合物和作为反应性凝聚剂的2,2,4-三甲基-3-氧代戊酸酯。本发明的涂料组合物具有较低的挥发性有机化合物含量，并提供改善的凝聚活性。
• US8809446B2
  申请人：——

  公开号：US8809446B2

  公开（公告）日：2014-08-19