3-(3,4-dimethoxy-phenyl)-2-methyl-crotonic acid ethyl ester | 122669-72-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 3-(3,4-dimethoxy-phenyl)-2-methyl-crotonic acid ethyl ester
• 英文别名: 3-(3,4-Dimethoxy-phenyl)-2-methyl-crotonsaeure-aethylester；ethyl (E)-3-(3,4-dimethoxyphenyl)-2-methylbut-2-enoate
• CAS: 122669-72-1
• 化学式: C₁₅H₂₀O₄
• 分子量: 264.321
• InChiKey: QGXOBHLCZMYFAB-ZHACJKMWSA-N

物化性质

• 沸点：
  360.2±27.0 °C(Predicted)
• 密度：
  1.052±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(3,4-dimethoxy-phenyl)-2-methyl-crotonic acid ethyl ester 生成 3-(3,4-dimethoxy-phenyl)-2-methyl-butyric acid amide
  参考文献：
  名称：

  Cultivation and use of isatis tinctoria L. (Brassicaceae) in Southern Italy

  摘要：

  Isatis tinctoria L. (Brassicaceae), commonly known as woad, is a biennial species with erect stem, hastate leaves, and yellow flowers clustered in racemes. Fruits are pendulous siliques. This species, probably indigenous of southeastern Asia, was used for the extraction of a dyeing agent called "indigo." Woad was introduced in ancient times in Italy and the first records of its cultivation date bark to the Roman period For many centuries, woad cultivation remained stable, but grew dramatically in the eighteenth century. In that century, the Societa Economiche established by Bourbons encouraged the cultivation of it in Southern Italy. Near Caserta, in Campania region (Italy), a factory for the extraction of dyeing agents was established and the dye was used in textile production in San Leucio (Caserta). The cultivation of I. tinctoria is abandoned today, although this species grows spontaneously as a weed in Italy. The authors discuss the history of woad and some ancient extractive and dyeing methods.

  DOI：

  10.1007/bf02864789
• 作为产物：
  描述：

  3-(3,4-dimethoxy-phenyl)-3-hydroxy-2-methyl-butyric acid ethyl ester 在 碘 作用下， 生成 3-(3,4-dimethoxy-phenyl)-2-methyl-crotonic acid ethyl ester
  参考文献：
  名称：

  Sugasawa; Sugimoto, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1941, vol. 61, p. 62,67; engl. Ref. S. 26, 29

  摘要：

  DOI：