1-[5-(1-amino-1-methyl)-2,2-dimethyl-[1,3]dioxolan-4-yl]-1-methylamine | 1185418-18-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[5-(1-amino-1-methyl)-2,2-dimethyl-[1,3]dioxolan-4-yl]-1-methylamine
• 英文别名: (1S)-1-[(4R,5R)-5-[(1S)-1-aminoethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine
• CAS: 1185418-18-1
• 化学式: C₉H₂₀N₂O₂
• 分子量: 188.27
• InChiKey: VSFQJOFFLSUEPG-RULNZFCNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  70.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  {1-[5-(1-benzyloxycarbonylamino-3-methyl-butyl)-2,2-dimethyl-[1,3]dioxolan-4-yl]-1-methyl}-carbamic acid benzyl ester 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 、 乙酸乙酯 为溶剂， 以87%的产率得到1-[5-(1-amino-1-methyl)-2,2-dimethyl-[1,3]dioxolan-4-yl]-1-methylamine
  参考文献：
  名称：

  Expedient solid-phase synthesis of both symmetric and asymmetric diol libraries targeting aspartic proteases

  摘要：

  C-2-symmetric diols have been shown to be highly potent against HIV-1 protease (PR). However, gaining access to these compounds has been hampered by the need of multistep solution-phase reactions which are often tedious and inefficient. In this Letter, we have disclosed a solid-phase strategy for rapid preparation of small molecule-based, symmetric and asymmetric diols as potential HIV-1 protease inhibitors. Upon biological screening, we found one of them, SYM-5, to be a potent and selective inhibitor (K-i = 400 nM) against HIV-1 protease. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.041

文献信息

• PRODUCTION PROCESS OF OPTICALLY ACTIVE 3-QUINUCLIDINOL DERIVATIVE
  申请人：Nippon Soda Co., Ltd.

  公开号：EP2186812B1

  公开（公告）日：2013-07-03
• US8436181B2
  申请人：——

  公开号：US8436181B2

  公开（公告）日：2013-05-07