3,4,4-Trimethyl-cyclopenta-2,5-diene-1,2-dicarboxylic acid dimethyl ester | 482582-02-5

• 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: 3,4,4-Trimethyl-cyclopenta-2,5-diene-1,2-dicarboxylic acid dimethyl ester
• 英文别名: Dimethyl 3,4,4-trimethylcyclopenta-2,5-diene-1,2-dicarboxylate
• CAS: 482582-02-5
• 化学式: C₁₂H₁₆O₄
• 分子量: 224.257
• InChiKey: FHMRAROIOBHRPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  丁炔二酸二甲酯 、 3,4,4-Trimethyl-cyclopenta-2,5-diene-1,2-dicarboxylic acid dimethyl ester 以 1,4-二氧六环 为溶剂， 反应 168000.0h， 以78%的产率得到1-Methyl-bicyclo[2.2.1]hepta-2,5-diene-2,3,5,6-tetracarboxylic acid tetramethyl ester
  参考文献：
  名称：

  The rearrangement of 3-vinylcyclobutene derivatives promoted by metallic Lewis acids

  摘要：

  The rearrangement of 3-vinylcyclobutene derivatives in the presence of metallic Lewis acids is discussed. Although most of the Lewis acids tried were too weak to cause any chemistry to occur, WCl6 and AlCl3 promote an interesting isomerization reaction. Especially significant is, for the first time, starting with a vinylcyclobutene, a product with a five-membered ring rather than a six-membered ring was obtained. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(02)01585-1
• 作为产物：
  描述：

  3-Isopropenyl-3-methyl-cyclobut-1-ene-1,2-dicarboxylic acid dimethyl ester 在 六氯化钨 作用下， 以 1,4-二氧六环 为溶剂， 反应 72.0h， 以28%的产率得到3,4,4-Trimethyl-cyclopenta-2,5-diene-1,2-dicarboxylic acid dimethyl ester
  参考文献：
  名称：

  The rearrangement of 3-vinylcyclobutene derivatives promoted by metallic Lewis acids

  摘要：

  The rearrangement of 3-vinylcyclobutene derivatives in the presence of metallic Lewis acids is discussed. Although most of the Lewis acids tried were too weak to cause any chemistry to occur, WCl6 and AlCl3 promote an interesting isomerization reaction. Especially significant is, for the first time, starting with a vinylcyclobutene, a product with a five-membered ring rather than a six-membered ring was obtained. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(02)01585-1

文献信息

• The rearrangement of 3-vinylcyclobutene derivatives promoted by metallic Lewis acids
  作者：Martin A Lovchik、Allan R Pinhas

  DOI：10.1016/s0022-328x(02)01585-1

  日期：2002.8

  The rearrangement of 3-vinylcyclobutene derivatives in the presence of metallic Lewis acids is discussed. Although most of the Lewis acids tried were too weak to cause any chemistry to occur, WCl6 and AlCl3 promote an interesting isomerization reaction. Especially significant is, for the first time, starting with a vinylcyclobutene, a product with a five-membered ring rather than a six-membered ring was obtained. (C) 2002 Elsevier Science B.V. All rights reserved.