1-(benzo[d][1,3]dioxol-5-yl)-2,2-dimethylpropane-1,3-diol | 35615-33-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 1-(benzo[d][1,3]dioxol-5-yl)-2,2-dimethylpropane-1,3-diol
• 英文别名: 1-(1,3-Benzodioxol-5-yl)-2,2-dimethylpropane-1,3-diol
• CAS: 35615-33-9
• 化学式: C₁₂H₁₆O₄
• 分子量: 224.257
• InChiKey: MFDYNPAJAOYQOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  58.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(benzo[d][1,3]dioxol-5-yl)-2,2-dimethylpropane-1,3-diol 在 三乙胺 、 三氯氧磷 作用下， 以 四氯化碳 、 二氯甲烷 为溶剂， 反应 4.0h， 生成
  参考文献：
  名称：

  Asymmetric Cyclic Phosphorothonamides Containing Substituted Pyridine

  摘要：

  In order to find high-acitivity and low-toxicity pesticidal lead compounds, a type of novel, asymmetric cyclic phosphorothonamides containing substituted pyridine were synthesized via the condensation reactions of 2-chloro-4-substitutedphenyl-5,5-dimethyl-1,3,2-dioxaphosphinane 2-sulfide with 3-aminomethylpyridine. The cis and trans isomers of the products were isolated by column chromatography on silica gel. The structures of the products were characterized by H-1 NMR, P-31 NMR, MS, and elemental analyses. The configuration of 3a was determined by X-ray diffraction analysis. The results of the preliminary bioassay showed that the new compounds possess potential fungicidal activities.

  DOI：

  10.1080/10426500600864296
• 作为产物：
  描述：

  胡椒醛 、 异丁醛 在 potassium hydroxide 作用下， 以 乙醇 为溶剂， 以41%的产率得到1-(benzo[d][1,3]dioxol-5-yl)-2,2-dimethylpropane-1,3-diol
  参考文献：
  名称：

  Optical enrichment in enzyme-catalyzed resolution of 1-aryl-2,2-dimethyl-1,3-propanediols

  摘要：

  Novozym® 435在不同有机溶剂中高效催化了1-芳基-2,2-二甲基-1,3-丙二醇与醋酸乙烯酯在室温下的化学、位置和对映选择性酯交换反应。这种酶催化的化学转化方法为光学富集的丙二醇衍生物提供了高效途径。

  DOI：

  10.1139/cjc-2016-0341

文献信息

• The design of resolving agents. Chiral cyclic phosphoric acids
  作者：Wolter Ten Hoeve、Hans Wynberg

  DOI：10.1021/jo00223a018

  日期：1985.11
• HOEVE, W. TEN;WYNBERG, H., J. ORG. CHEM., 1985, 50, N 23, 4508-4514
  作者：HOEVE, W. TEN、WYNBERG, H.

  DOI：——

  日期：——
• Optical enrichment in enzyme-catalyzed resolution of 1-aryl-2,2-dimethyl-1,3-propanediols
  作者：Chandrani Mukherjee、Prabhu P. Mohapatra、Dani Youssef、Amitabh Jha

  DOI：10.1139/cjc-2016-0341

  日期：2017.1

  Novozym® 435 efficiently catalyzed the chemo-, regio-, and enantioselective transesterification of 1-aryl-2,2-dimethyl-1,3-propanediols in different organic solvents with vinyl acetate as the acetyl donor at room temperature. This enzyme-catalyzed chemical transformation method provides an efficient route for optically enriched propanediol derivatives.

  Novozym® 435在不同有机溶剂中高效催化了1-芳基-2,2-二甲基-1,3-丙二醇与醋酸乙烯酯在室温下的化学、位置和对映选择性酯交换反应。这种酶催化的化学转化方法为光学富集的丙二醇衍生物提供了高效途径。
• Asymmetric Cyclic Phosphorothonamides Containing Substituted Pyridine
  作者：De-Qing Shi、Abudhaim Feras、Yi Liu

  DOI：10.1080/10426500600864296

  日期：2006.11.1

  In order to find high-acitivity and low-toxicity pesticidal lead compounds, a type of novel, asymmetric cyclic phosphorothonamides containing substituted pyridine were synthesized via the condensation reactions of 2-chloro-4-substitutedphenyl-5,5-dimethyl-1,3,2-dioxaphosphinane 2-sulfide with 3-aminomethylpyridine. The cis and trans isomers of the products were isolated by column chromatography on silica gel. The structures of the products were characterized by H-1 NMR, P-31 NMR, MS, and elemental analyses. The configuration of 3a was determined by X-ray diffraction analysis. The results of the preliminary bioassay showed that the new compounds possess potential fungicidal activities.