acetic acid 2,2,2-trideuterio-ethyl ester | 109545-01-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: acetic acid 2,2,2-trideuterio-ethyl ester
• 英文别名: Essigsaeure-(2,2,2-trideuterio-aethylester)；Ethyl-2,2,2-d3 acetate；2,2,2-trideuterioethyl acetate
• CAS: 109545-01-9
• 化学式: C₄H₈O₂
• 分子量: 91.0825
• InChiKey: XEKOWRVHYACXOJ-FIBGUPNXSA-N

物化性质

• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  6
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 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：

  乙醇-2,2,2-d3 、 溶剂黄146 在 硫酸 作用下， 反应 4.0h， 生成 acetic acid 2,2,2-trideuterio-ethyl ester
  参考文献：
  名称：

  Quantitation and Sensory Studies of Character Impact Odorants of Different White Wine Varieties

  摘要：

  Forty-four odor-active compounds were quantified in Scheurebe and Gewurztraminer wines, respectively. Calculation of odor activity values (OAVs) of odorants showed that differences in odor profiles of both varieties were mainly caused by cis-rose oxide in Gewurztraminer and by 4-mercapto-4-methylpentan-2-one in Scheurebe. On the basis of their high OAVs, ethyl octanoate, ethyl hexanoate, 3-methylbutyl acetate, ethyl isobutyrate, (E)-beta-damascenone, and 3a,4,5,7a-tetrahydro-3,6-dimethylbenzofuran-2(3H)-one (wine lactone) were further potent odorants in both varieties. The compounds were dissolved in a water/ethanol mixture in various combinations and in concentration levels equal to those in wine. The results indicated that the aromas of Gewurztraminer and Scheurebe models were in good agreement with the original wines.

  DOI：

  10.1021/jf970280a

文献信息

• Highly enantioselective copper-catalyzed substitution of allylic chlorides with diorganozincs
  作者：Frank Dübner、Paul Knochel

  DOI：10.1016/s0040-4039(00)01671-3

  日期：2000.11

  The new ferrocenyl ligand 1i allows the performance of a highly enantioselective copper catalyzed SN2′-allylic substitution of allylic chlorides with diorganozincs, providing substituted products with enantiomeric excesses of up to 98%.

  新的二茂铁基配体1i允许用二有机锌对铜进行的高对映选择性的铜催化S N 2'-烯丙基取代，从而为取代的产物提供高达98％的对映体过量。