1,4-bis(1-carboxy-2-methylprop-2-yl)benzene | 1224-86-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 1,4-bis(1-carboxy-2-methylprop-2-yl)benzene
• 英文别名: p-Phenylen-bis-(3,3'-isovaleriansaeure)；β,β'-p-Phenylen-di-isovaleriansaeure；3,3'-dimethyl-3,3'-p-phenylene-di-butyric acid；3,3'-Dimethyl-3,3'-p-phenylen-di-buttersaeure；3-[4-(2-Carboxy-1,1-dimethylethyl)phenyl]-3-methylbutanoic acid；3-[4-(1-carboxy-2-methylpropan-2-yl)phenyl]-3-methylbutanoic acid
• CAS: 1224-86-8
• 化学式: C₁₆H₂₂O₄
• 分子量: 278.348
• InChiKey: FLQWCGHFRCZKAP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,4-bis(1-carboxy-2-methylprop-2-yl)benzene 在 氢氟酸 作用下， 生成 3-(1,1-Dimethyl-3-oxo-indan-5-yl)-3-methyl-butyric acid
  参考文献：
  名称：

  Brouwers, Louvain Medical, 1974, vol. 93, # 4, p. 189 - 194

  摘要：

  DOI：
• 作为产物：
  描述：

  1,4-bis(4-oxo-2-methylpent-2-yl)benzene 在 6percent commercial bleach 作用下， 反应 18.0h， 以60%的产率得到1,4-bis(1-carboxy-2-methylprop-2-yl)benzene
  参考文献：
  名称：

  A dipseudoacid, C16H18O6

  摘要：

  Pseudoacids, or cyclic oxocarboxylic acids commonly form non-planar, complementary and non-cooperative, dimeric hydrogenbonds. A dehydration resistant arylpyran dipseudoacid, C16H18O6, has been synthesized and characterized. Crystals of trans-4,4,8,8-tetramethyl-3,7-dihydroxy-1,2,3,4,5,6,7,8-octahydro-2,6-dioxaanthracen-1,5-dione occur in the monoclinic system and form linear hydrogen-bonded chains; it has an elevated melting point without decomposition at 574.6 K. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2007.07.045

文献信息

• Bergmann; Taubadel; Weiss, Chemische Berichte, 1931, vol. 64, p. 1493,1497
  作者：Bergmann、Taubadel、Weiss

  DOI：——

  日期：——
• Kariyone et al., Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1953, vol. 73, p. 925
  作者：Kariyone et al.

  DOI：——

  日期：——
• Pulkkinen; Rouse, Chemistry and industry, 1966, p. 666
  作者：Pulkkinen、Rouse

  DOI：——

  日期：——
• Brouwers, Louvain Medical, 1974, vol. 93, # 4, p. 189 - 194
  作者：Brouwers

  DOI：——

  日期：——
• A dipseudoacid, C16H18O6
  作者：Dmitriy V. Liskin、Edward J. Valente

  DOI：10.1016/j.molstruc.2007.07.045

  日期：2008.4

  Pseudoacids, or cyclic oxocarboxylic acids commonly form non-planar, complementary and non-cooperative, dimeric hydrogenbonds. A dehydration resistant arylpyran dipseudoacid, C16H18O6, has been synthesized and characterized. Crystals of trans-4,4,8,8-tetramethyl-3,7-dihydroxy-1,2,3,4,5,6,7,8-octahydro-2,6-dioxaanthracen-1,5-dione occur in the monoclinic system and form linear hydrogen-bonded chains; it has an elevated melting point without decomposition at 574.6 K. (C) 2007 Elsevier B.V. All rights reserved.