2,2-Dimethyl-propionic acid (4aS,6R,7R,8R,8aR)-7-acetoxy-4-amino-8-methoxy-hexahydro-pyrano[3,2-d][1,3]dioxin-6-ylmethyl ester | 195703-45-8

• 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: 2,2-Dimethyl-propionic acid (4aS,6R,7R,8R,8aR)-7-acetoxy-4-amino-8-methoxy-hexahydro-pyrano[3,2-d][1,3]dioxin-6-ylmethyl ester
• CAS: 195703-45-8
• 化学式: C₁₆H₂₇NO₈
• 分子量: 361.392
• InChiKey: KZXQJCZQILQABQ-QYABOVLDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.05
• 重原子数：
  25.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  115.54
• 氢给体数：
  1.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  2,2-Dimethyl-propionic acid (4aS,6R,7R,8R,8aR)-7-acetoxy-4-amino-8-methoxy-hexahydro-pyrano[3,2-d][1,3]dioxin-6-ylmethyl ester 在 lithium hydroxide 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 (2S)-N-[(4S,4aS,6R,7R,8S,8aR)-7-hydroxy-6-(hydroxymethyl)-8-methoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-4-yl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
  参考文献：
  名称：

  Synthesis and biological activity of artificial analogs of mycalamide A

  摘要：

  Artificial analogs of mycalamide A, a potent antitumor and antiviral compound isolated from a New Zealand marine sponge, were synthesized and their biological activities were tested. (C) 1997 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00365-x
• 作为产物：
  描述：

  1,2,4,6-tetra-O-acetate-2-O-methyl-α-D-glucopyranoside 在 palladium on activated charcoal 吡啶 、 三氟甲磺酸三甲基硅酯 、 三氟化硼乙醚 、 氢气 、 potassium carbonate 作用下， 以 甲醇 、 二氯甲烷 、 乙酸乙酯 、 乙腈 为溶剂， 生成 2,2-Dimethyl-propionic acid (4aS,6R,7R,8R,8aR)-7-acetoxy-4-amino-8-methoxy-hexahydro-pyrano[3,2-d][1,3]dioxin-6-ylmethyl ester
  参考文献：
  名称：

  Synthesis and biological activity of artificial analogs of mycalamide A

  摘要：

  Artificial analogs of mycalamide A, a potent antitumor and antiviral compound isolated from a New Zealand marine sponge, were synthesized and their biological activities were tested. (C) 1997 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00365-x

文献信息

• Synthesis of Mycalamide Analogs
  作者：Tadashi Nakata、Shunya Takahashi、Akihiro Okada

  DOI：10.3987/com-04-10162

  日期：——