(+/-)-4-methyl-cyclohex-4-ene-1r,2t-dicarboxylic acid-anhydride | 1694-82-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异苯并呋喃
• 英文名称: (+/-)-4-methyl-cyclohex-4-ene-1r,2t-dicarboxylic acid-anhydride
• 英文别名: (+/-)-4-Methyl-cyclohex-4-en-1r,2t-dicarbonsaeure-anhydrid；(3aS,7aS)-5-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
• CAS: 1694-82-2；3425-89-6；58863-19-7；135184-96-2
• 化学式: C₉H₁₀O₃
• 分子量: 166.177
• InChiKey: OEMSKMUAMXLNKL-BQBZGAKWSA-N

物化性质

• 熔点：
  64-65 °C
• 沸点：
  308.9±42.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (+/-)-4-methyl-cyclohex-4-ene-1r,2t-dicarboxylic acid-anhydride 生成 cis-3a,4,7,7a-tetrahydro-5-methyl-1,3-isobenzofurandione
  参考文献：
  名称：

  Nasarow; Kutscherow, Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1955, p. 298,306; engl. Ausg. S. 265, 271

  摘要：

  DOI：
• 作为产物：
  描述：

  (1R,2S)-4-Methyl-cyclohex-4-ene-1,2-dicarbonitrile 在 sodium hydroxide 作用下， 生成 (+/-)-4-methyl-cyclohex-4-ene-1r,2t-dicarboxylic acid-anhydride
  参考文献：
  名称：

  Mineral chemistry of a zircon-bearing, composite, veined and metasomatised upper-mantle peridotite xenolith from kimberlite

  摘要：

  Zircon-bearing veins in a harzburgite xenolith from kimberlite have imposed Ca-metasomatism on the harzburgite wall rock, in addition to adding K, Fe, Ti and OH. The zircon, previously dated to have an age similar to that of the xenolith-hosting kimberlite, shows higher Y, Nb, Ba, REE, Th and U contents than other mantle-derived zircons. Peripheral alteration of the zircon to baddeleyite and zirconolite, and alteration of vein ilmenite to perovskite suggest reaction with an evolving carbonatitic kimberlite melt. The high Cr2O3 content (0.77 wt%) of the zirconolite extends the compositional range of terrestrial zirconolite.

  DOI：

  10.1007/s004100000216

文献信息

• Petrow; Sopow, Sb. Statei Obshch. Khim., 1953, p. 853,855
  作者：Petrow、Sopow

  DOI：——

  日期：——
• Mineral chemistry of a zircon-bearing, composite, veined and metasomatised upper-mantle peridotite xenolith from kimberlite
  作者：J. Dawson、P. Hill、P. Kinny

  DOI：10.1007/s004100000216

  日期：2001.3

  Zircon-bearing veins in a harzburgite xenolith from kimberlite have imposed Ca-metasomatism on the harzburgite wall rock, in addition to adding K, Fe, Ti and OH. The zircon, previously dated to have an age similar to that of the xenolith-hosting kimberlite, shows higher Y, Nb, Ba, REE, Th and U contents than other mantle-derived zircons. Peripheral alteration of the zircon to baddeleyite and zirconolite, and alteration of vein ilmenite to perovskite suggest reaction with an evolving carbonatitic kimberlite melt. The high Cr2O3 content (0.77 wt%) of the zirconolite extends the compositional range of terrestrial zirconolite.
• Nasarow; Kutscherow, Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1955, p. 298,306; engl. Ausg. S. 265, 271
  作者：Nasarow、Kutscherow

  DOI：——

  日期：——