3-Acetoxy-1-methyl-5-oxo-cyclohex-3-enecarboxylic acid methyl ester | 181486-35-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 乙烯酯类
• 英文名称: 3-Acetoxy-1-methyl-5-oxo-cyclohex-3-enecarboxylic acid methyl ester
• CAS: 181486-35-1
• 化学式: C₁₁H₁₄O₅
• 分子量: 226.229
• InChiKey: BVQDEFVPJHPSSZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.98
• 重原子数：
  16.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  69.67
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  3-Acetoxy-1-methyl-5-oxo-cyclohex-3-enecarboxylic acid methyl ester 在 4-二甲氨基吡啶 作用下， 生成 4-acetyl-3,5-dioxo-1-methylcyclohexane carboxylic acid methyl ester
  参考文献：
  名称：

  A new linker for primary amines applicable to combinatorial approaches

  摘要：

  We describe a new linker molecule (ADCC-linker) for the attachment of primary amines to solid support. The linker is stable towards acidic conditions (eg.TFA) basic conditions (eg.piperidine, DBU) as well as towards uronium type coupling reagents. The amine can be quantitatively released from the support using a 2% hydrazine in DMF solution. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00258-2
• 作为产物：
  描述：

  methyl 3,5-dimethoxy-1-methylcyclohexa-2,5-diene-1-carboxylate 在 盐酸 作用下， 以 水 为溶剂， 生成 3-Acetoxy-1-methyl-5-oxo-cyclohex-3-enecarboxylic acid methyl ester
  参考文献：
  名称：

  A new linker for primary amines applicable to combinatorial approaches

  摘要：

  We describe a new linker molecule (ADCC-linker) for the attachment of primary amines to solid support. The linker is stable towards acidic conditions (eg.TFA) basic conditions (eg.piperidine, DBU) as well as towards uronium type coupling reagents. The amine can be quantitatively released from the support using a 2% hydrazine in DMF solution. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00258-2