pentan-3-yl (E)-cinnamate | 138964-36-0

• 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: pentan-3-yl (E)-cinnamate
• 英文别名: pentan-3-yl (E)-3-phenylprop-2-enoate
• CAS: 138964-36-0
• 化学式: C₁₄H₁₈O₂
• 分子量: 218.296
• InChiKey: ZJAVTFUVZVQHCJ-ZHACJKMWSA-N

物化性质

• 沸点：
  313.2±11.0 °C(Predicted)
• 密度：
  1.006±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 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：

  <1-Aethyl-propyloxy>-tributyl-stannan 在 三氟化硼乙醚 、 四氯化钛 、 zinc(II) iodide 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 pentan-3-yl (E)-cinnamate
  参考文献：
  名称：

  Chemistry of silylketenes: a simple preparation of α-silyl-α-stannylacetic esters and their stereoselective Reformatsky-type reaction with aldehydes or aldimines

  摘要：

  Silylketenes 1a, b reacted smoothly with alkoxystannanes 3 to give the corresponding alpha-silyl-alpha-stannylacetates 4 almost quantitatively. Treatment of 4 with TiCl4 caused selective cleavage of the C-Sn bond to bring about Reformatsky-type reaction with aldehydes 6 giving beta-hydroxy-alpha-silyl esters 7. These two steps were carried out by one-pot operation, and variously substituted compounds 7 were obtained with high syn-selectivity (52-> 96% d.e.) in 41-89% yields. A similar one-pot procedure starting from la-c, 3, and aldimines 11 also provided the corresponding beta-amino-alpha-silyl esters 12 with excellent syn-selectivity (greater-than-or-equal-to 96% d.e.) in 64-94% yields. Stereocontrolled preparation of both (E)- and (Z)-alpha,beta-unsaturated esters 8 and a syn-amino diol derivative 17 from syn-7 and syn-12, respectively, is also described.

  DOI：

  10.1039/p19920002813

文献信息

• PERFUME PRECURSOR
  申请人：Takasago International Corporation

  公开号：EP3689849A1

  公开（公告）日：2020-08-05

  The present invention relates to a perfume precursor represented by formula (1). (In formula (1), R1 represents a hydrogen atom, a C1-C12 alkyl group, a hydroxy group, a methoxy group, or an ethoxy group; R2 represents a single bond, a C1-C2 alkylene group which may have a substituent, or a vinylene group which may have a substituent; R3 represents a residue obtained by removing one hydrogen atom of a hydroxy group from a C5-C20 perfume alcohol or a phenol which may have a substituent.)

  本发明涉及一种由式（1）表示的香水前体。(在式(1)中，R1 代表氢原子、C1-C12 烷基、羟基、甲氧基或乙氧基；R2 代表单键、可能具有取代基的 C1-C2 亚烷基或可能具有取代基的乙烯基；R3 代表通过从 C5-C20 香水醇或可能具有取代基的苯酚中去除羟基的一个氢原子而得到的残余物)。