4-(2-ethylphenyl)-thiomorpholine 1,1-dioxide | 1219600-77-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻嗪类
• 英文名称: 4-(2-ethylphenyl)-thiomorpholine 1,1-dioxide
• 英文别名: 4-(2-Ethylphenyl)-1,4-thiazinane 1,1-dioxide；4-(2-ethylphenyl)-1,4-thiazinane 1,1-dioxide
• CAS: 1219600-77-7
• 化学式: C₁₂H₁₇NO₂S
• 分子量: 239.338
• InChiKey: BSMWKCOHHOMCEF-UHFFFAOYSA-N

物化性质

• 熔点：
  118.6-120.8 °C
• 沸点：
  444.0±45.0 °C(Predicted)
• 密度：
  1.190±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  二乙烯基砜 、 硝基乙苯 在 indium 、 氯化铵 、 溶剂黄146 作用下， 以 甲醇 、 水 为溶剂， 反应 24.0h， 以26%的产率得到4-(2-ethylphenyl)-thiomorpholine 1,1-dioxide
  参考文献：
  名称：

  One-Pot Aryl-1,4-thiomorpholine 1,1-Dioxide Synthesis via Double 1,4-Addition of in situ Reduced Nitroarenes to Divinyl Sulfones

  摘要：

  One-pot reduction-triggered double aza-Michael type 1,4-addition reactions of various nitroarenes to divinyl sulfones were investigated. In the presence of indium/AcOH in MeOH or in sat. aq NH(4)Cl/MeOH, nitroarenes and divinyl sulfones were cyclized to give 1,4-thiomorpholine 1,1-dioxides.

  DOI：

  10.3987/com-09-11858

文献信息

• Imine Compound
  申请人：Saito Shiuji

  公开号：US20080312435A1

  公开（公告）日：2008-12-18

  An imine compound represented by the formula: wherein A represents a heterocyclic group; R 1 , R 2 , an R 3 each represent a hydrogen atom, a halogen atom, a C 1-10 alkyl group optionally substituted with an aryl group(s) substituted with a halogen atom(s), a C 3-10 cycloalkyl group, a C 1-6 haloalkyl group, a C 1-10 alkoxy group, etc.; R 4 represents an optionally substituted C 1-10 alkyl, C 2-6 alkenyl, or aryl group; R 5 represents a hydrogen atom, a C 1-10 alkoxy group, a C 1-6 haloalkyl group, an optionally substituted C 1-10 alkyl or C 2-6 alkenyl group, an optionally substituted aryl or heterocyclic group, etc.; W represents —CO—, —CO—CO—, —CO—NH—, —CS—NH—, or —SO 2 —, or a cannabinoid-receptor agonist comprising said imine compound as an active ingredient. The imine compound of the present invention has a cannabinoid-receptor agonist effect, and is useful as a therapeutic or prophylactic drug for pains and autoimmune diseases.

  一种以以下式表示的亚胺化合物：其中A代表杂环基团；R1、R2和R3分别表示氢原子、卤素原子、C1-10烷基，该烷基可选地取代有芳基，所述芳基取代有卤素原子，C3-10环烷基，C1-6卤代烷基，C1-10烷氧基等；R4表示可选地取代的C1-10烷基，C2-6烯基或芳基；R5表示氢原子，C1-10烷氧基，C1-6卤代烷基，可选地取代的C1-10烷基或C2-6烯基，可选地取代的芳基或杂环基团等；W表示—CO—，—CO—CO—，—CO—NH—，—CS—NH—或—SO2—，或以该亚胺化合物为活性成分的大麻素受体激动剂。本发明的亚胺化合物具有大麻素受体激动剂作用，可用作治疗或预防疼痛和自身免疫性疾病的药物。
• One-Pot Aryl-1,4-thiomorpholine 1,1-Dioxide Synthesis via Double 1,4-Addition of in situ Reduced Nitroarenes to Divinyl Sulfones
  作者：Byeong Hyo Kim、Joon Hee Han、Jaehwan Choi、Young Moo Jun、Byung Min Lee

  DOI：10.3987/com-09-11858

  日期：——

  One-pot reduction-triggered double aza-Michael type 1,4-addition reactions of various nitroarenes to divinyl sulfones were investigated. In the presence of indium/AcOH in MeOH or in sat. aq NH(4)Cl/MeOH, nitroarenes and divinyl sulfones were cyclized to give 1,4-thiomorpholine 1,1-dioxides.