4--2,2-diethyl-1,3-dioxolane | 22195-46-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4--2,2-diethyl-1,3-dioxolane
• 英文别名: 4-(Chloromethyl)-2,2-diethyl-1,3-dioxolane
• CAS: 22195-46-6
• 化学式: C₈H₁₅ClO₂
• 分子量: 178.659
• InChiKey: XNNKOCCDSFHFKU-UHFFFAOYSA-N

物化性质

• 沸点：
  80-81 °C(Press: 16 Torr)
• 密度：
  1.010±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4--2,2-diethyl-1,3-dioxolane 以 六甲基磷酰三胺 、 水 为溶剂， 反应 1.5h， 生成 (S)-2,2-diethyl-1,3-dioxolane-4-methanol
  参考文献：
  名称：

  Enzymatic resolution of 2,2-disubstituted-1,3-dioxolane-4-methanol carboxylic esters

  摘要：

  The enantioselectivity of enzymatic hydrolysis of carboxylic esters of various 1,2-ketals of glycerol has been investigated. The influence of the ketal group has been studied. A number of lipases and proteinases have been tested and the best enantioselectivity was obtained with proteinase from Aspergillus oryzae which gave an E-value of 9 with 2,2-dimethyl-1,3-dioxolane-4-methanol butanoate. Variations in the acyl part revealed that butanoyl was optimal. All hydrolysis products have been synthesised in homochiral forms from homochiral starting materials.

  DOI：

  10.1016/s0957-4166(00)82313-7
• 作为产物：
  描述：

  3-氯-1,2-丙二醇 、 3-戊酮 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 以66%的产率得到4--2,2-diethyl-1,3-dioxolane
  参考文献：
  名称：

  Enzymatic resolution of 2,2-disubstituted-1,3-dioxolane-4-methanol carboxylic esters

  摘要：

  The enantioselectivity of enzymatic hydrolysis of carboxylic esters of various 1,2-ketals of glycerol has been investigated. The influence of the ketal group has been studied. A number of lipases and proteinases have been tested and the best enantioselectivity was obtained with proteinase from Aspergillus oryzae which gave an E-value of 9 with 2,2-dimethyl-1,3-dioxolane-4-methanol butanoate. Variations in the acyl part revealed that butanoyl was optimal. All hydrolysis products have been synthesised in homochiral forms from homochiral starting materials.

  DOI：

  10.1016/s0957-4166(00)82313-7

文献信息

• <i>N</i>-Benzyl Pyridinium Salts as New Useful Catalysts for Transformation of Epoxides to Cyclic Acetals, Orthoesters, and Orthocarbonates
  作者：Sang-Bong Lee、Toshikazu Takata、Takeshi Endo

  DOI：10.1246/cl.1990.2019

  日期：1990.11

  In the presence of catalytic amount of N-(4-methoxybenzyl)-2-cyanopyridinium hexafluoroantimonate, the reaction of a few epoxides with aldehydes, ketones, lactones, and carbonates efficiently afforded corresponding cyclic acetals, orthoesters, and Orthocarbonates under mild conditions.

  在催化量的 N-（4-甲氧基苄基）-2-氰基吡啶鎓六氟锑酸盐存在下，一些环氧化物与醛、酮、内酯和碳酸盐的反应在温和的条件下有效地生成了相应的环醛、原酯和正碳酸盐。
• LEE, SANG-BONG;TAKATA, TOSHIKAZU;ENDO, TAKESHI, CHEM. LETT.,(1990) N1, C. 2019-2022
  作者：LEE, SANG-BONG、TAKATA, TOSHIKAZU、ENDO, TAKESHI

  DOI：——

  日期：——
• SCHARF H.-D.; WOLTERS E., CHEM. BER. <CHBE-AM>, 1978, 111, NO 2, 639-660
  作者：SCHARF H.-D.、 WOLTERS E.

  DOI：——

  日期：——
• AXMATDINOV R. T., HOB. REAKTIVY HA OSNOVE ATSETALEJ, ORTOEHFIROV, IX ANALOGOV I PROIZVODNYX+
  作者：AXMATDINOV R. T.

  DOI：——

  日期：——