1,3-二噻烷-2-甲酰胺 | 33927-41-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二噻烷
• 中文名称: 1,3-二噻烷-2-甲酰胺
• 英文名称: 2-carboxamide-1,3-dithiane
• 英文别名: [1,3]dithiane-2-carboxylic acid amide；1,3-Dithiane-2-carboxamide
• CAS: 33927-41-2
• 化学式: C₅H₉NOS₂
• mdl: MFCD18805932
• 分子量: 163.265
• InChiKey: KTPNVUGLXGOHSO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  93.7
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  1,3-二噻烷-2-甲酰胺 在 间氯过氧苯甲酸 作用下， 以 甲醇 为溶剂， 以34%的产率得到2-carboxamide-1,3-dithiane-trans-1,3-dioxide
  参考文献：
  名称：

  Stereoselective Chemo-Enzymatic Approaches to the Synthesis of C ₂ 1,3-Dithiane-1,3-dioxide

  摘要：

  Two enzyme-mediated methods are presented for the preparation of enantiomerically enriched C2 1,3-dithiane-1,3-dioxide. The first takes advantage of a trans stereoselective oxidation by NaIO4 of enantiomerically pure (R) 1,3-dithiane-1-oxide obtained by cyclohexanone monooxygenase. In the second method, a kinetic resolution consisting of a domino hydrolysis-decarboxylation process of (+/-) 2-carbethoxy-1,3-dithiane-trans-1,3-dioxide is described. The target molecule is obtained with enantiomeric excesses up to 90%.

  DOI：

  10.1080/10426500902856446
• 作为产物：
  描述：

  1,3-二噻烷-2-甲酰氯 在 氨 作用下， 以 二氯甲烷 为溶剂， 反应 0.17h， 以0.82 g的产率得到1,3-二噻烷-2-甲酰胺
  参考文献：
  名称：

  Stereoselective Chemo-Enzymatic Approaches to the Synthesis of C ₂ 1,3-Dithiane-1,3-dioxide

  摘要：

  Two enzyme-mediated methods are presented for the preparation of enantiomerically enriched C2 1,3-dithiane-1,3-dioxide. The first takes advantage of a trans stereoselective oxidation by NaIO4 of enantiomerically pure (R) 1,3-dithiane-1-oxide obtained by cyclohexanone monooxygenase. In the second method, a kinetic resolution consisting of a domino hydrolysis-decarboxylation process of (+/-) 2-carbethoxy-1,3-dithiane-trans-1,3-dioxide is described. The target molecule is obtained with enantiomeric excesses up to 90%.

  DOI：

  10.1080/10426500902856446

文献信息

• Stereoselective Chemo-Enzymatic Approaches to the Synthesis of <i>C</i> ₂ 1,3-Dithiane-1,3-dioxide
  作者：N. Gaggero、S. Colonna、D. Albanese、G. Ottolina、F. Del Monte

  DOI：10.1080/10426500902856446

  日期：2009.5.14

  Two enzyme-mediated methods are presented for the preparation of enantiomerically enriched C2 1,3-dithiane-1,3-dioxide. The first takes advantage of a trans stereoselective oxidation by NaIO4 of enantiomerically pure (R) 1,3-dithiane-1-oxide obtained by cyclohexanone monooxygenase. In the second method, a kinetic resolution consisting of a domino hydrolysis-decarboxylation process of (+/-) 2-carbethoxy-1,3-dithiane-trans-1,3-dioxide is described. The target molecule is obtained with enantiomeric excesses up to 90%.