2-methoxycarbonylmethyl-2,3,6,11-tetrahydroanthra[2,1-d]isothiazole-3,6,11-trione | 681849-90-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 2-methoxycarbonylmethyl-2,3,6,11-tetrahydroanthra[2,1-d]isothiazole-3,6,11-trione
• 英文别名: Acetic acid, (3,6,11-trioxo-6,11-dihydro-3H-1-thia-2-azacyclopenta[a]anthracen-2-yl)-, methyl ester；methyl 2-(3,6,11-trioxonaphtho[2,3-g][1,2]benzothiazol-2-yl)acetate
• CAS: 681849-90-1
• 化学式: C₁₈H₁₁NO₅S
• mdl: MFCD03764255
• 分子量: 353.355
• InChiKey: PZIUBRIVUSAERE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  106
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-methoxycarbonylmethyl-2,3,6,11-tetrahydroanthra[2,1-d]isothiazole-3,6,11-trione 在 双氧水 、 溶剂黄146 作用下， 以46%的产率得到2-methoxycarbonylmethyl-2,3,6,11-tetrahydroanthra[2,1-d]isothiazole-3,6,11-trione 1-oxide
  参考文献：
  名称：

  摘要：

  2-Methyltetrahydroanthra[2,3-d]isothiazole-3,5,10-trione and 2-R-tetrahydroanthral 2,1-d]isothiazole-3,6,11-triones were synthesized by the reactions of 3-chloro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide and 1-nitro-9,10-dioxo-9,10-dihydroanthracene2-carboxamide with alkanethiols followed by cyclization of the resulting alkylthioamides into isothiazolones under the action of SO2Cl2. The products were oxidized to give the corresponding S-oxides and S,S-dioxides.

  DOI：

  10.1023/a:1013003122428
• 作为产物：
  描述：

  1-硝基-2-羧酸蒽醌 在 氯化亚砜 、 磺酰氯 、 sodium acetate 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 苯 为溶剂， 反应 5.5h， 生成 2-methoxycarbonylmethyl-2,3,6,11-tetrahydroanthra[2,1-d]isothiazole-3,6,11-trione
  参考文献：
  名称：

  摘要：

  2-Methyltetrahydroanthra[2,3-d]isothiazole-3,5,10-trione and 2-R-tetrahydroanthral 2,1-d]isothiazole-3,6,11-triones were synthesized by the reactions of 3-chloro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide and 1-nitro-9,10-dioxo-9,10-dihydroanthracene2-carboxamide with alkanethiols followed by cyclization of the resulting alkylthioamides into isothiazolones under the action of SO2Cl2. The products were oxidized to give the corresponding S-oxides and S,S-dioxides.

  DOI：

  10.1023/a:1013003122428

文献信息

• ——
  作者：F. A. Kucherov、S. G. Zlotin

  DOI：10.1023/a:1013003122428

  日期：——

  2-Methyltetrahydroanthra[2,3-d]isothiazole-3,5,10-trione and 2-R-tetrahydroanthral 2,1-d]isothiazole-3,6,11-triones were synthesized by the reactions of 3-chloro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide and 1-nitro-9,10-dioxo-9,10-dihydroanthracene2-carboxamide with alkanethiols followed by cyclization of the resulting alkylthioamides into isothiazolones under the action of SO2Cl2. The products were oxidized to give the corresponding S-oxides and S,S-dioxides.