2-(diethylphosphino)-N,N-(pentamethylene)ethanethioamide | 199188-46-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物
• 英文名称: 2-(diethylphosphino)-N,N-(pentamethylene)ethanethioamide
• 英文别名: 2-Diethoxyphosphoryl-1-piperidin-1-ylethanethione
• CAS: 199188-46-0
• 化学式: C₁₁H₂₂NO₃PS
• 分子量: 279.34
• InChiKey: AOIDZMXBAGDFPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  70.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-[[[(E)-[4-bis[4-[(E)-[bis(4-formylphenoxy)phosphinothioyl-methylhydrazinylidene]methyl]phenoxy]phosphinothioyloxyphenyl]methylideneamino]-methylamino]-(4-formylphenoxy)phosphinothioyl]oxybenzaldehyde 、 2-(diethylphosphino)-N,N-(pentamethylene)ethanethioamide 在 sodium hydride 作用下， 生成
  参考文献：
  名称：

  Application of the Horner-Wadsworth-Emmons Reaction to the Functionalization of Dendrimers: Synthesis of Amino Acid Terminated Dendrimers

  摘要：

  第一代、第三代和第四代醛端树枝形分子 1-[Gn]（分别为 n=1: 6 CHO、n=3:24 CHO、n=4:48 CHO 基团）与在碳 δ 处未取代为磷酰基 2a-i 的膦酸盐发生 Horner-Wadsworth-Emmons 反应，以中等产量生成表面带有各种 δ、δ- 不饱和官能团（包括氨基酸衍生物）的树枝形分子。

  DOI：

  10.1055/s-1997-1332
• 作为产物：
  描述：

  哌啶 、 ethyl 2-(diethoxyphosphoryl)ethanedithioate 以95%的产率得到2-(diethylphosphino)-N,N-(pentamethylene)ethanethioamide
  参考文献：
  名称：

  Synthesis of d -mannofuranosyl-ethanethioamides and the corresponding ethanedithioate, the first C -glycosyl derivative with thioacylating properties

  摘要：

  D-Mannofuranosyl-ethanethioamides were prepared in gold yields via a Homer-Wadsworth-Emmons reaction of thiocarbamoylmethylphosphonates with 2,3:5,6-di-O-isopropylidene-alpha-D-mannofuranose. New glycosyl-ethanethioamides were obtained and one of them was converted into the corresponding dithioester which is a potential sugar substituted thioacylating agent for aminoacids. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00304-9

文献信息

• 2-(2,3:5,6-Di-<i>O</i>-isopropylidene-β-<scp>D</scp>-mannofuranosyl)-<i>N</i>,<i>N</i>-(pentamethylene)ethanethioamide
  作者：P. Marchand、S. Masson、D. Rachinel、J.-F. Saint-Clair、M.-T. Averbuch-Pouchot

  DOI：10.1107/s0108270199006459

  日期：1999.9.15

  The title compound, C19H31NO5S, was prepared using a Wittig-Horner olefination followed by an intramolecular Michael addition. Two diastereoisomers were obtained in a 80:20 (beta:alpha) ratio. The stereochemistry of the major anomer (beta, thermodynamic) was based on NMR (C-13 and H-1) spectra. The present X-ray structure determination confirms the configuration of this product.