nonyl 3-oxobutanoate | 40959-70-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: nonyl 3-oxobutanoate
• 英文别名: acetoacetic acid nonyl ester；Acetessigsaeure-nonylester
• CAS: 40959-70-4
• 化学式: C₁₃H₂₄O₃
• 分子量: 228.332
• InChiKey: OXMOJULFKLVWDY-UHFFFAOYSA-N

物化性质

• 沸点：
  136-139 °C(Press: 4 Torr)
• 密度：
  0.936±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  16
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  nonyl 3-oxobutanoate 生成 3-semicarbazono-butyric acid nonyl ester
  参考文献：
  名称：

  Schurawlewa, 1959, vol. 160, p. 127

  摘要：

  DOI：
• 作为产物：
  描述：

  1-壬醇 、 alkaline earth salt of/the/ methylsulfuric acid 在 三氟化硼乙醚 作用下， 以 甲苯 为溶剂， 以71%的产率得到nonyl 3-oxobutanoate
  参考文献：
  名称：

  手性表面活性剂型催化剂：对水中长链脂族酮酸酯的对映选择性还原

  摘要：

  设计并合成了一系列两亲性配体。具有配体的铑配合物被用于纯水中宽范围的长链脂族酮酸酯的不对称转移氢化。使用手性表面活性剂型催化剂2观察到α-，β-，γ-，δ-和ε-酮酸酯以及α-和β-酰氧基酮的定量转化率和出色的对映选择性（高达99％ee）。在金属硅油核中，催化剂与底物之间的长脂肪链之间的CH /π相互作用和长脂肪链的强疏水相互作用在催化过渡态中起着关键作用。胶束中金属催化位点与核心的疏水微环境之间的协同作用有助于实现高立体选择性。

  DOI：

  10.1021/acs.joc.5b00241

文献信息

• PRODUCTION METHOD OF RADICAL POLYMERIZABLE ORGANOPOLYSILOXANE, RADIATION CURABLE ORGANOPOLYSILOXANE COMPOSITION, AND RELEASE SHEET
  申请人：Shin-Etsu Chemical Co., Ltd.

  公开号：EP3702396A1

  公开（公告）日：2020-09-02

  One of the objects of the present invention is to provide a (meth)acryloyl group-containing radical-polymerizable organopolysiloxane having a low viscosity, and to provide a method for preparing the organopolysiloxane less costly and without using harmful raw materials. Additionally, another object is to provide a (meth)acryloyl group containing organopolysiloxane useful for providing release sheets having light release and high adhesion properties. The present invention provides a method for preparing a (meth)acryloyl group-containing organopolysiloxane comprising a step of transesterification between the components (a1) and (a2) in the presence of the components (a3) and (a4) to obtain the (meth)acryloyl group-containing organopolysiloxane, whrein component (a1) is an organopolysiloxane represented by the average composition formula (1) which has at least one of a hydroxy group-containing group, component (a2) is a (meth)acrylic acid ester represented by the general formula (2), component (a3) is a zirconium metal complex in an amount such that a molar ratio of component (a3) to the hydroxy group of component (a1) is 0.001 to 0.1, and component (a4) is a hydroxy group-containing amine represented by HON(R4)2 in an amount such that a molar ratio of component (a4) to component (a3) is 0.10 to 1.5, wherein R4 is, independently of each other, a linear or branched aliphatic hydrocarbon group having 1 to 6 carbon atoms.

  本发明的目的之一是提供一种具有低粘度的含(甲基)丙烯酰基的可自由基聚合的有机聚硅氧烷，并提供一种制备该有机聚硅氧烷的方法，该方法成本较低且无需使用有害原料。此外，本发明的另一个目的是提供一种含（甲基）丙烯酰基的有机聚硅氧烷，该有机聚硅氧烷可用于提供具有光释放性和高粘附性的离型膜。本发明提供了一种制备含(甲基)丙烯酰基有机聚硅氧烷的方法，包括在组分(a3)和(a4)存在的情况下，在组分(a1)和(a2)之间进行酯交换反应，以获得含(甲基)丙烯酰基有机聚硅氧烷、其中组分(a1)是由平均组成式(1)表示的有机聚硅氧烷，该有机聚硅氧烷具有至少一个含羟基的基团；组分(a2)是由通式(2)表示的(甲基)丙烯酸酯；组分(a3)是锆金属络合物，其用量使得组分(a3)与组分(a1)的羟基的摩尔比为0.001至0.1，而组分(a4)是由HON(R4)2代表的含羟基的胺，其用量使得组分(a4)与组分(a3)的摩尔比为0.10至1.5，其中R4彼此独立地是具有1至6个碳原子的直链或支链脂族烃基。
• Synthesis, biological activity, and affinity for model biological membranes of alkyl and cycloalkyl-l,4-dihydropyridine-3,5-dicarboxylates
  作者：N. V. Makarova、G. V. Belevich、É. A. Bisenieks、M. M. Veveris、G. Ya. Dubur

  DOI：10.1007/bf00763523

  日期：1988.7
• ULDRIKIS YA. R.; DUBUR G. YA.; DIPAN I. V.; CHEKAVICHUS B. S., XIMIYA GETEROTSIKL. SOEDIN. <KGSS-AQ>, 1975, HO 9, 1230-1237
  作者：ULDRIKIS YA. R.、 DUBUR G. YA.、 DIPAN I. V.、 CHEKAVICHUS B. S.

  DOI：——

  日期：——
• MAKAROVA, N. V.;BELEVICH, G. V.;BISENIEKS, EH. A.;VEVERIS, M. M.;DUBUR, G+, XIM.-FARMATS. ZH., 22,(1988) N 7, 810-815
  作者：MAKAROVA, N. V.、BELEVICH, G. V.、BISENIEKS, EH. A.、VEVERIS, M. M.、DUBUR, G+

  DOI：——

  日期：——
• METHOD FOR PREPARING A RADICAL-POLYMERIZABLE ORGANOPOLYSILOXANE, A RADIATION-CURABLE ORGANOPOLYSILOXANE COMPOSITION, AND A RELEASE SHEET
  申请人：Shin-Etsu Chemical Co., Ltd.

  公开号：US20200339757A1

  公开（公告）日：2020-10-29

  Provided is a method for preparing a (meth)acryloyl group-containing organopolysiloxane having a step of transesterification between the components (a1) and (a2) in the presence of the components (a3) and (a4) to obtain the (meth)acryloyl group-containing organopolysiloxane, wherein component (a1) is an organopolysiloxane represented by the average composition formula (1) which has a hydroxy group-containing group, component (a2) is a (meth)acrylic acid ester represented by the general formula (2), component (a3) is a zirconium metal complex in an amount such that a molar ratio of component (a3) to the hydroxy group of component (a1) is 0.001 to 0.1, and component (a4) is a hydroxy group-containing amine represented by HON(R 4 ) 2 in an amount such that a molar ratio of component (a4) to component (a3) is 0.10 to 1.5, wherein R 4 is, independently of each other, a linear or branched aliphatic hydrocarbon group having 1 to 6 carbon atoms.