13-[(2,6-dimethoxypyrimidin-4-ylaminosulfonyl)phenyl]-6,12-epimino-5,11-ditosyl-5,6,11,12-tetrahydrodibenzo[b,f]-1,5-diazocine

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 13-[(2,6-dimethoxypyrimidin-4-ylaminosulfonyl)phenyl]-6,12-epimino-5,11-ditosyl-5,6,11,12-tetrahydrodibenzo[b,f]-1,5-diazocine
• 英文别名: 4-{5,11-bis[(4-methylphenyl)sulfonyl]-5,6,11,12-tetrahydro-6,12-epiminodibenzo[b,f][1,5]diazocin-13-yl}-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide；4-[8,16-bis-(4-methylphenyl)sulfonyl-8,16,17-triazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-17-yl]-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
• 化学式: C₄₀H₃₆N₆O₈S₃
• 分子量: 824.959
• InChiKey: JYRRXMLVMDRTSN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  57
• 可旋转键数：
  10
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  194
• 氢给体数：
  1
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  N-(2-甲酰基苯基)-4-甲基苯磺酰胺 、 磺胺二甲氧嗪 以 溶剂黄146 为溶剂， 反应 6.0h， 以50%的产率得到13-[(2,6-dimethoxypyrimidin-4-ylaminosulfonyl)phenyl]-6,12-epimino-5,11-ditosyl-5,6,11,12-tetrahydrodibenzo[b,f]-1,5-diazocine
  参考文献：
  名称：

  Reactions ofo-tosylaminobenzaldehyde withp-aminobenzenesulfonamides. Synthesis and structures of 13-(4-aminosulfonylphenyl)-6,12-epimino-5,11-ditosyl-5,6,11,12-tetrahydrodibenzo[b,f]-1,5-diazocine and itsN-substituted derivatives

  摘要：

  The reactions of o-tosylaminobenzaldehyde (1) with p-aminobenzenesulfonamides (2a-c) yielded 13-(p-RNHSO2C6H4)-6,12-epimino-5,11-ditosyl-5,6,11,12-tetrahydrodibenzo[b,f]-1,5-diazocines (3a-c) (R = H (a); 2-thiazolyl (b); or 2,6-dimethoxy-4-pyrimidinyl 2,6-dimethoxy-4-pyrimidinyl (c). The structure of compound 3c was confirmed by X-ray diffruction study.

  DOI：

  10.1007/bf02503789

文献信息

• Reactions ofo-tosylaminobenzaldehyde withp-aminobenzenesulfonamides. Synthesis and structures of 13-(4-aminosulfonylphenyl)-6,12-epimino-5,11-ditosyl-5,6,11,12-tetrahydrodibenzo[b,f]-1,5-diazocine and itsN-substituted derivatives
  作者：L. Yu. Ukhin、Zh. I. Orlova、V. N. Khrustalev

  DOI：10.1007/bf02503789

  日期：1997.11

  The reactions of o-tosylaminobenzaldehyde (1) with p-aminobenzenesulfonamides (2a-c) yielded 13-(p-RNHSO2C6H4)-6,12-epimino-5,11-ditosyl-5,6,11,12-tetrahydrodibenzo[b,f]-1,5-diazocines (3a-c) (R = H (a); 2-thiazolyl (b); or 2,6-dimethoxy-4-pyrimidinyl 2,6-dimethoxy-4-pyrimidinyl (c). The structure of compound 3c was confirmed by X-ray diffruction study.