(Z)-(1S,4R,6S,14S,18R)-14-cyclopentyloxycarbonylamino-18-(4-fluoro-1,3-dihydro-isoindole-2-carbonyloxy)-2,15-dioxo-3,16-diaza-tricyclo[14.3.0.0(4,6)]nonadec-7-ene-3,4-dicarboxylic acid 3-tert-butyl ester 4-methyl ester | 1194373-59-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (Z)-(1S,4R,6S,14S,18R)-14-cyclopentyloxycarbonylamino-18-(4-fluoro-1,3-dihydro-isoindole-2-carbonyloxy)-2,15-dioxo-3,16-diaza-tricyclo[14.3.0.0(4,6)]nonadec-7-ene-3,4-dicarboxylic acid 3-tert-butyl ester 4-methyl ester
• 英文别名: 3-O-tert-butyl 4-O-methyl (1S,4R,6S,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-18-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-3,4-dicarboxylate
• CAS: 1194373-59-5
• 化学式: C₃₉H₅₁FN₄O₁₀
• 分子量: 754.853
• InChiKey: ZYSJVWGUTOWIPI-OWZJXTMQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  54
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  161
• 氢给体数：
  1
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  [4-fluoro-1,3-dihydro-isoindole-2-carboxylic acid (3R,5S)-5-[tert-butoxycarbonyl-((1R,2 S)-1-methoxycarbonyl-2-vinyl-cyclopropyl)-aminocarbonyl]-1-((S)-2-cyclopentyloxycarbonylamino-non-8-enoyl)-pyrrolidin-3-yl ester] 在 1,3-bis-(2,4,6-trimethylphenyl)-2-(imidazolidinylidene)dichloro(5-nitro-2-isopropoxyphenylmethylene)ruthenium 作用下， 以 甲苯 为溶剂， 反应 0.5h， 生成 (Z)-(1S,4R,6S,14S,18R)-14-cyclopentyloxycarbonylamino-18-(4-fluoro-1,3-dihydro-isoindole-2-carbonyloxy)-2,15-dioxo-3,16-diaza-tricyclo[14.3.0.0(4,6)]nonadec-7-ene-3,4-dicarboxylic acid 3-tert-butyl ester 4-methyl ester
  参考文献：
  名称：

  US2011/263844

  摘要：

  公开号：

文献信息

• METHOD FOR PREPARING MACROCYCLES
  申请人：Shu Chutian

  公开号：US20110263844A1

  公开（公告）日：2011-10-27

  The present invention is directed to a method for the preparation of macrocyclic compounds of formula (I), comprising the step of cyclizing a diene of formula (II), in the presence of a catalyst, wherein R 1 -R 6 , A, W and V are as defined herein. The present invention is also directed to intermediate compounds of formula II.