(1R,2S,3S,3aS,3a1R,4R,6aR,7aS,11S,11aS,11bR)-11-methoxy-1,2-bis(methoxymethoxy)-3,8,11a-trimethyl-5,10-dioxo-1,3,3a,4,5,6a,7,7a,10,11,11a,11b-dodecahydro-2H-3,3a1-(epoxymethano)dibenzo[de,g]chromen-4-yl (R)-2-hydroxy-2-methylbutanoate | 149312-32-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (1R,2S,3S,3aS,3a1R,4R,6aR,7aS,11S,11aS,11bR)-11-methoxy-1,2-bis(methoxymethoxy)-3,8,11a-trimethyl-5,10-dioxo-1,3,3a,4,5,6a,7,7a,10,11,11a,11b-dodecahydro-2H-3,3a1-(epoxymethano)dibenzo[de,g]chromen-4-yl (R)-2-hydroxy-2-methylbutanoate
• CAS: 149312-32-3
• 化学式: C₃₀H₄₄O₁₂
• 分子量: 596.672
• InChiKey: IFEVWMRSAHRUGB-NRAZPNMCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.55
• 重原子数：
  42.0
• 可旋转键数：
  10.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  145.28
• 氢给体数：
  1.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  (1R,2S,3S,3aS,3a1R,4R,6aR,7aS,11S,11aS,11bR)-11-methoxy-1,2-bis(methoxymethoxy)-3,8,11a-trimethyl-5,10-dioxo-1,3,3a,4,5,6a,7,7a,10,11,11a,11b-dodecahydro-2H-3,3a1-(epoxymethano)dibenzo[de,g]chromen-4-yl (R)-2-hydroxy-2-methylbutanoate 在 4-二甲氨基吡啶 、 三氯化铝 、 三乙胺 、 sodium iodide 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 21.42h， 生成
  参考文献：
  名称：

  (R)-(+)- and (S)-(-)-5-Ethyl-5-methyl-1,3-dioxolane-2,4-dione reagents for the direct preparation of .alpha.-hydroxy-.alpha.-methylbutyrate esters: assignment of the absolute configuration of the .alpha.-acetoxy-.alpha.-methylbutyrate ester side chain of quassimarin via total synthesis

  摘要：

  The preparation and use of (R)-(+)- and (S)-(-)-5-ethyl-5-methyl-1,3-dioxolane-2,4-diones for the direct preparation of chiral alpha-hydroxy-alpha-methylbutyrate esters are described.

  DOI：

  10.1021/jo00067a004
• 作为产物：
  描述：

  (1R,2S,3R,6R,8S,12S,13S,14R,15R,16S,17S)-3-hydroxy-12-methoxy-15,16-bis(methoxymethoxy)-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione 、 (R)-(+)-5-ethyl-5-methyl-1,3-dioxolane-2,4-dione 在 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 25.0h， 以77%的产率得到(1R,2S,3S,3aS,3a1R,4R,6aR,7aS,11S,11aS,11bR)-11-methoxy-1,2-bis(methoxymethoxy)-3,8,11a-trimethyl-5,10-dioxo-1,3,3a,4,5,6a,7,7a,10,11,11a,11b-dodecahydro-2H-3,3a1-(epoxymethano)dibenzo[de,g]chromen-4-yl (R)-2-hydroxy-2-methylbutanoate
  参考文献：
  名称：

  (R)-(+)- and (S)-(-)-5-Ethyl-5-methyl-1,3-dioxolane-2,4-dione reagents for the direct preparation of .alpha.-hydroxy-.alpha.-methylbutyrate esters: assignment of the absolute configuration of the .alpha.-acetoxy-.alpha.-methylbutyrate ester side chain of quassimarin via total synthesis

  摘要：

  The preparation and use of (R)-(+)- and (S)-(-)-5-ethyl-5-methyl-1,3-dioxolane-2,4-diones for the direct preparation of chiral alpha-hydroxy-alpha-methylbutyrate esters are described.

  DOI：

  10.1021/jo00067a004