4-Oxo-cyclohex-2-ene-1,1,3-tricarboxylic acid di-tert-butyl ester 4-methoxy-benzyl ester | 1026660-25-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-Oxo-cyclohex-2-ene-1,1,3-tricarboxylic acid di-tert-butyl ester 4-methoxy-benzyl ester
• 英文别名: 1-O,1-O'-ditert-butyl 3-O-[(4-methoxyphenyl)methyl] 4-oxocyclohex-2-ene-1,1,3-tricarboxylate
• CAS: 1026660-25-2
• 化学式: C₂₅H₃₂O₈
• 分子量: 460.524
• InChiKey: JKUFQLWJQXKZSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  33
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  105
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  三乙基氯硅烷 、 4-Oxo-cyclohex-2-ene-1,1,3-tricarboxylic acid di-tert-butyl ester 4-methoxy-benzyl ester 在 C₁₁H₂₂CuNSiSn^(2-)*2Li⁽¹⁺⁾ 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 24.0h， 以65%的产率得到4-Triethylsilanyloxy-cyclohex-3-ene-1,1,3-tricarboxylic acid di-tert-butyl ester 4-methoxy-benzyl ester
  参考文献：
  名称：

  (Trimethylstannyl)vinyl Cuprates:  Generation and Conjugate Addition Reactions

  摘要：

  A new convenient route to the bis[(trimethylstannyl)vinyl] cuprate reagent 9 is described. Its addition to alpha,beta-unsaturated ketones has been studied, Bis(trimethylsilyl)acetamide (BSA) was found to activate 1,4-conjugate addition of 9 to alpha,beta-unsaturated ketone esters without concomitant reduction of the double bond.

  DOI：

  10.1021/jo960245n
• 作为产物：
  描述：

  4-methoxybenzyl acrylate 在 吡啶 、 双氧水 、 sodium hydride 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 2.17h， 生成 4-Oxo-cyclohex-2-ene-1,1,3-tricarboxylic acid di-tert-butyl ester 4-methoxy-benzyl ester
  参考文献：
  名称：

  (Trimethylstannyl)vinyl Cuprates:  Generation and Conjugate Addition Reactions

  摘要：

  A new convenient route to the bis[(trimethylstannyl)vinyl] cuprate reagent 9 is described. Its addition to alpha,beta-unsaturated ketones has been studied, Bis(trimethylsilyl)acetamide (BSA) was found to activate 1,4-conjugate addition of 9 to alpha,beta-unsaturated ketone esters without concomitant reduction of the double bond.

  DOI：

  10.1021/jo960245n

文献信息

• (Trimethylstannyl)vinyl Cuprates:  Generation and Conjugate Addition Reactions
  作者：Oswy Z. Pereira、Tak-Hang Chan

  DOI：10.1021/jo960245n

  日期：1996.1.1

  A new convenient route to the bis[(trimethylstannyl)vinyl] cuprate reagent 9 is described. Its addition to alpha,beta-unsaturated ketones has been studied, Bis(trimethylsilyl)acetamide (BSA) was found to activate 1,4-conjugate addition of 9 to alpha,beta-unsaturated ketone esters without concomitant reduction of the double bond.