ethyl 3-(dibenzylamino)but-2-enoate | 178811-46-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl 3-(dibenzylamino)but-2-enoate
• CAS: 178811-46-6
• 化学式: C₂₀H₂₃NO₂
• mdl: MFCD00651868
• 分子量: 309.408
• InChiKey: QWVGNMVYHMXXQJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-benzylidene-3-methyl-1-phenylpyrazolone 、 ethyl 3-(dibenzylamino)but-2-enoate 在 dipotassium hydrogenphosphate 、 N-碘代丁二酰亚胺 作用下， 以 二甲基亚砜 为溶剂， 以84%的产率得到ethyl 8-(dibenzylamino)-1-methyl-4-oxo-3,6-diphenyl-2,3-diazaspiro[4.4]nona-1,7-diene-7-carboxylate
  参考文献：
  名称：

  NIS 促进的化学发散和非对映选择性合成吡咯啉基和环戊烯基螺吡唑啉酮通过亚烷基吡唑啉酮与烯氨基酯的调节环化

  摘要：

  已经探索了N-碘​​代琥珀酰亚胺促进的亚烷基吡唑啉酮与烯胺酯的环化，以通过迈克尔加成/碘化/分子内亲核取代序列构建螺吡唑啉酮部分。当该反应在乙腈中于 100 °C 下进行时，通过 N-攻击环化仅提供反构型的吡咯啉基螺吡唑啉酮。当反应在二甲基亚砜中、80℃、K 2 HPO 4存在下进行时，通过C-攻击环化仅产生顺式构型的环戊烯基螺吡唑啉酮。还提出了一种合理的机制。

  DOI：

  10.1021/acs.joc.4c00424
• 作为产物：
  描述：

  乙酰乙酸乙酯 、 二苄胺 在 zinc(II) acetate dihydrate 作用下， 以 neat (no solvent) 为溶剂， 反应 12.0h， 以74%的产率得到ethyl 3-(dibenzylamino)but-2-enoate
  参考文献：
  名称：

  带有乙烯基酰胺和碳二亚胺的Arynes双键插入/亲核加成

  摘要：

  显示出Arynes插入某些C═X双键中，导致苯环环化的四元环。这些环的应变允许容易地，自发地打开以提供邻喹啉类似物。随后的亲核加成使中间体重新芳构化，以实现芳烃的邻-双官能化。在本报告中，我们描述了芳烃插入乙烯基酰胺的C═C双键和碳二亚胺的C═N双键。将讨论与芳烃单键插入化学的相关性和比较。也将讨论开环步骤的计算研究，以及邻甲基喹啉中间体的性质。

  DOI：

  10.1021/jo402754d

文献信息

• Photopolymerization synergist
  申请人：Piedmont Chemical Industries, LLC

  公开号：US11421049B2

  公开（公告）日：2022-08-23

  An a photopolymerization formulation is provided as is an improved method for forming an object using the formulation. The formulation comprises a polymerizable ethylenically unsaturated monomer, oligomer or polymer; a photoinitiator; and a synergist selected from the group consisting of Formula I, Formula II and Formula III; wherein: R1, R4, R6 and R9 are independently selected from an alkene, a cyclic olefin, aryl, cyclic heteroatom containing group or acylic heteroatom containing group each of which is optionally substituted; R2 and R8 are independently selected from hydrogen; linear or branched alkyl of 1 to 10 carbons; aryl; —C(O)R10; —NR11R12; or —COR15; R3, R5 and R7 are independently selected from hydrogen, saturated or unsaturated, cyclic or acyclic, optionally substituted alkyl of 1-20 carbons or optionally substituted aryl of no more than four fused aromatic rings; R2 and R3 or R7 and R8 may be taken together in each Formula to form a saturated or unsaturated optionally substituted ring; R10 and R15 independently a saturated or unsaturated, cyclic or acyclic, optionally substituted alkyl of 1-20 carbons; carboxylic acid; ketone or an ester; and R11 and R12 are independently selected from hydrogen; saturated or unsaturated, cyclic or acyclic, optionally substituted alkyl of 1-20 carbons; optionally substituted aryl with up to five fused aromatic rings.

  本发明提供了一种光聚合配方，以及使用该配方形成物体的改进方法。该配方包括可聚合的乙烯基不饱和单体、低聚物或聚合物；光引发剂；以及选自式 I、式 II 和式 III 组的增效剂； 其中 R1、R4、R6 和 R9 分别独立地选自烯烃、环状烯烃、芳基、含环状杂原子的基团或含酰基杂原子的基团，其中每个基团都被任选取代； R2 和 R8 独立选自氢、1 至 10 个碳原子的直链或支链烷基、芳基、-C(O)R10、-NR11R12 或 -COR15； R3、R5 和 R7 独立选自氢、饱和或不饱和、环状或无环、1-20 个碳原子的任选取代的烷基或不多于四个融合芳环的任选取代的芳基； R2 和 R3 或 R7 和 R8 可在各式中组合成饱和或不饱和的任选取代环； R10和R15各自为饱和或不饱和、环状或非环状、1-20个碳原子的任选取代的烷基；羧酸；酮或酯；以及 R11 和 R12 分别独立地选自氢；饱和或不饱和、环状或无环、可选取代的 1-20 碳烷基；可选取代的具有最多五个融合芳环的芳基。
• Photopolymerization Synergist
  申请人：Piedmont Chemical Industries, LLC

  公开号：US20210139616A1

  公开（公告）日：2021-05-13

  An a photopolymerization formulation is provided as is an improved method for forming an object using the formulation. The formulation comprises a polymerizable ethylenically unsaturated monomer, oligomer or polymer; a photoinitiator; and a synergist selected from the group consisting of Formula I, Formula II and Formula III; wherein: R 1 , R 4 , R 6 and R 9 are independently selected from an alkene, a cyclic olefin, aryl, cyclic heteroatom containing group or acylic heteroatom containing group each of which is optionally substituted; R 2 and R 8 are independently selected from hydrogen; linear or branched alkyl of 1 to 10 carbons; aryl; —C(O)R 10 ; —NR 11 R 12 ; or —COR 15 ; R 3 , R 5 and R 7 are independently selected from hydrogen, saturated or unsaturated, cyclic or acyclic, optionally substituted alkyl of 1-20 carbons or optionally substituted aryl of no more than four fused aromatic rings; R 2 and R 3 or R 7 and R 8 may be taken together in each Formula to form a saturated or unsaturated optionally substituted ring; R 10 and R 15 independently a saturated or unsaturated, cyclic or acyclic, optionally substituted alkyl of 1-20 carbons; carboxylic acid; ketone or an ester; and R 11 and R 12 are independently selected from hydrogen; saturated or unsaturated, cyclic or acyclic, optionally substituted alkyl of 1-20 carbons; optionally substituted aryl with up to five fused aromatic rings.