(E)-5-methoxy-hept-4-en-3-one | 1551-51-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (E)-5-methoxy-hept-4-en-3-one
• 英文别名: (E)-5-methoxyhept-4-en-3-one
• CAS: 1551-51-5
• 化学式: C₈H₁₄O₂
• 分子量: 142.198
• InChiKey: FJAJNCFVAXCYNE-SOFGYWHQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3,5-庚烷二酮 以 四氯化碳 为溶剂， 生成 (E)-5-methoxy-hept-4-en-3-one
  参考文献：
  名称：

  Rotational Isomerism in β-DiketonecisandtransEnol Ethers. An IR and PMR Study

  摘要：

  红外光谱显示，β-烷氧基-α,β-不饱和酮（R1COCH=CR2OR3）的顺式（Z）异构体以顺式（ZZ）和顺式-反式（ZE）旋转体混合物的形式存在，当 R1 取代基的立体要求增加时，平衡会转向前者。反式（E）异构体具有一致的顺式（EZ）结构。由于围绕 Csp2-O 键的旋转，Z 和 E 异构体分别出现了 O-s-反式（或非平面）和 O-s-顺式构象。在已知结构的基础上，对 R1 和 R2 质子的化学位移规则（此处称为 "烯一交叉屏蔽规则"）进行了合理化。

  DOI：

  10.1246/bcsj.49.981

文献信息

• THERMOSETTING LIQUID-CRYSTAL POLYESTER COMPOSITION AND CURED PRODUCT THEREOF
  申请人：DAICEL CORPORATION

  公开号：US20150247034A1

  公开（公告）日：2015-09-03

  Provided is a thermosetting composition that can be cured at a relatively low temperature and gives a cured product having excellent heat resistance. The thermosetting composition according to the present invention is a thermosetting liquid-crystal polyester composition prepared by melt-blending a liquid-crystal polyester (A) and a compound (B) with each other. The liquid-crystal polyester (A) includes at least one of hydroxy and acyloxy at molecular chain end. The compound (B) includes a first functional group and a second functional group in molecule. The first functional group is reactive with the at least one of hydroxy and acyloxy. The second functional group is thermally polymerizable. In the thermosetting liquid-crystal polyester composition, the liquid-crystal polyester (A) is preferably a liquid-crystal polyester that contains a monomer unit derived from an aromatic compound and has an average degree of polymerization of from 3 to 30 and a melting point of 250° C. or lower.