methyl 6-acetamido-2,2-dioxo-3,5,7,8-tetrahydro-1H-benzo[f][2]benzothiole-6-carboxylate | 1229676-86-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: methyl 6-acetamido-2,2-dioxo-3,5,7,8-tetrahydro-1H-benzo[f][2]benzothiole-6-carboxylate
• CAS: 1229676-86-1
• 化学式: C₁₆H₁₉NO₅S
• 分子量: 337.397
• InChiKey: KFTLAVLKYZICRO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  97.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-乙酰胺基丙烯酸甲酯 、 1,4,6,8-Tetrahydrothieno[3,4-g][2,3]benzoxathiine 3,7,7-trioxide 以 甲苯 为溶剂， 反应 24.0h， 以57%的产率得到methyl 6-acetamido-2,2-dioxo-3,5,7,8-tetrahydro-1H-benzo[f][2]benzothiole-6-carboxylate
  参考文献：
  名称：

  Design and Synthesis of Benzosultine-sulfone as a o-Xylylene Precursor via Cross-enyne Metathesis and Rongalite: Further Expansion to Polycyclics via Regioselective Diels−Alder Reaction

  摘要：

  Benzosultine-sulfone 5 has been prepared as a o-xylylene or o-quinodimethane precursor by utilization of rongalite. Thermal activation of this hybrid molecule 5 has resulted a new sulfone-based building block 6. Building block 5 is a suitable precursor for the synthesis of unsymmetrically functionalized polycyclics through Diels-Alder (DA) chemistry. The dibromosulfone 24 and benzosultine-sulfone 5 has also been used for the synthesis of various sulfone based unnatural a-amino acid (AAA) derivatives.

  DOI：

  10.1021/jo100655c

文献信息

• Design and Synthesis of Benzosultine-sulfone as a <i>o</i>-Xylylene Precursor via Cross-enyne Metathesis and Rongalite: Further Expansion to Polycyclics via Regioselective Diels−Alder Reaction
  作者：Sambasivarao Kotha、Arjun S. Chavan

  DOI：10.1021/jo100655c

  日期：2010.6.18

  Benzosultine-sulfone 5 has been prepared as a o-xylylene or o-quinodimethane precursor by utilization of rongalite. Thermal activation of this hybrid molecule 5 has resulted a new sulfone-based building block 6. Building block 5 is a suitable precursor for the synthesis of unsymmetrically functionalized polycyclics through Diels-Alder (DA) chemistry. The dibromosulfone 24 and benzosultine-sulfone 5 has also been used for the synthesis of various sulfone based unnatural a-amino acid (AAA) derivatives.