2-[6-(4-{(S)-2-[[(E)-5-(tert-Butyl-diphenyl-silanyloxy)-pent-3-enyl]-(toluene-4-sulfonyl)-amino]-2-methoxycarbonyl-ethyl}-phenoxy)-hexyl]-malonic acid dimethyl ester | 292157-42-7

• 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: 2-[6-(4-{(S)-2-[[(E)-5-(tert-Butyl-diphenyl-silanyloxy)-pent-3-enyl]-(toluene-4-sulfonyl)-amino]-2-methoxycarbonyl-ethyl}-phenoxy)-hexyl]-malonic acid dimethyl ester
• CAS: 292157-42-7
• 化学式: C₄₉H₆₃NO₁₀SSi
• 分子量: 886.191
• InChiKey: RFOATXLQPOKRAI-QWPANFRISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.58
• 重原子数：
  62.0
• 可旋转键数：
  24.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  134.74
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  2-[6-(4-{(S)-2-[[(E)-5-(tert-Butyl-diphenyl-silanyloxy)-pent-3-enyl]-(toluene-4-sulfonyl)-amino]-2-methoxycarbonyl-ethyl}-phenoxy)-hexyl]-malonic acid dimethyl ester 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 以71%的产率得到2-[6-(4-{(S)-2-[((E)-5-Hydroxy-pent-3-enyl)-(toluene-4-sulfonyl)-amino]-2-methoxycarbonyl-ethyl}-phenoxy)-hexyl]-malonic acid dimethyl ester
  参考文献：
  名称：

  Design and synthesis of macro-heterocycles structurally related to tirofiban

  摘要：

  Sequences of nine and four steps were designed to yield two tirobifan related macrocycles by SN2 macrocyclization. The cyclic compounds contain the amino acid tyrosine, one insaturation and are either 18- or 20-membered rings. All the reaction conditions are very mild and the overall yields indicate that the results depend a lot on the structure of the targets and on the length of the reaction sequence. (C) 2000 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(00)00709-7
• 作为产物：
  描述：

  (S)-2-[[(E)-5-(tert-Butyl-diphenyl-silanyloxy)-pent-3-enyl]-(toluene-4-sulfonyl)-amino]-3-{4-[6-(tetrahydro-pyran-2-yloxy)-hexyloxy]-phenyl}-propionic acid methyl ester 在 4-甲基苯磺酸吡啶 、 sodium hydride 、 三苯基膦 、 偶氮二甲酸二乙酯 、 碘甲烷 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 生成 2-[6-(4-{(S)-2-[[(E)-5-(tert-Butyl-diphenyl-silanyloxy)-pent-3-enyl]-(toluene-4-sulfonyl)-amino]-2-methoxycarbonyl-ethyl}-phenoxy)-hexyl]-malonic acid dimethyl ester
  参考文献：
  名称：

  Design and synthesis of macro-heterocycles structurally related to tirofiban

  摘要：

  Sequences of nine and four steps were designed to yield two tirobifan related macrocycles by SN2 macrocyclization. The cyclic compounds contain the amino acid tyrosine, one insaturation and are either 18- or 20-membered rings. All the reaction conditions are very mild and the overall yields indicate that the results depend a lot on the structure of the targets and on the length of the reaction sequence. (C) 2000 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(00)00709-7