2-Benzo[1,3]dioxol-5-yl-1-pyrrolidin-1-yl-ethanone | 61378-35-6

• 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: 2-Benzo[1,3]dioxol-5-yl-1-pyrrolidin-1-yl-ethanone
• 英文别名: 2-(2H-1,3-Benzodioxol-5-yl)-1-(pyrrolidin-1-yl)ethan-1-one；2-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylethanone
• CAS: 61378-35-6
• 化学式: C₁₃H₁₅NO₃
• 分子量: 233.267
• InChiKey: UJZQQWXULJDSFZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-Benzo[1,3]dioxol-5-yl-1-pyrrolidin-1-yl-ethanone 以97%的产率得到
  参考文献：
  名称：

  Smith D. C., Lee S. W., Fuchs P. L., J. Org. Chem., 59 (1994) N 2, S 348-354

  摘要：

  DOI：
• 作为产物：
  描述：

  四氢吡咯 、 胡椒乙酸 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以46 %的产率得到2-Benzo[1,3]dioxol-5-yl-1-pyrrolidin-1-yl-ethanone
  参考文献：
  名称：

  [EN] FUSED HETEROCYCLIC MESCALINE DERIVATIVES
  [FR] DÉRIVÉS HÉTÉROCYCLIQUES CONDENSÉS DE LA MESCALINE

  摘要：

  Disclosed are novel fused heterocyclic mescaline derivative compounds, notably fused heterocyclic mescaline derivatives and pharmaceutical and recreational drug formulations containing the same. Methods of making and using these compounds are also disclosed.

  公开号：

  WO2024026568A1

文献信息

• Conversion of amides and lactams to thioamides and thiolactams using hexamethyldisilathiane
  作者：D. C. Smith、S. W. Lee、P. L. Fuchs

  DOI：10.1021/jo00081a011

  日期：1994.1

  Amides and lactams were converted to their corresponding thioamides and thiolactams employing a new protocol using hexamethyldisilathiane (TMS(2)S). Oxophilic promoters were employed to generate Vilsmeier-type intermediates, the most efficient reagents being phosphorus oxychloride, triphosgene, and oxalyl chloride. Thionation of intermediate chloro iminium ions was accomplished in situ with TMS(2)S. Yields were good to excellent for secondary and tertiary amides and lactams while yields for primary systems were poor.
• Smith D. C., Lee S. W., Fuchs P. L., J. Org. Chem., 59 (1994) N 2, S 348-354
  作者：Smith D. C., Lee S. W., Fuchs P. L.

  DOI：——

  日期：——
• [EN] FUSED HETEROCYCLIC MESCALINE DERIVATIVES<br/>[FR] DÉRIVÉS HÉTÉROCYCLIQUES CONDENSÉS DE LA MESCALINE
  申请人：[en]ENVERIC BIOSCIENCES CANADA INC.

  公开号：WO2024026568A1

  公开（公告）日：2024-02-08

  Disclosed are novel fused heterocyclic mescaline derivative compounds, notably fused heterocyclic mescaline derivatives and pharmaceutical and recreational drug formulations containing the same. Methods of making and using these compounds are also disclosed.