5-氧代-1,3,6-环庚三烯-1-羧酸 | 22855-63-6

• 分子结构分类: 有机化合物 - 碳氢化合物衍生物 - 环庚三烯酮
• 中文名称: 5-氧代-1,3,6-环庚三烯-1-羧酸
• 英文名称: 5-oxo-cyclohepta-1,3,6-trienecarboxylic acid
• 英文别名: 5-Oxo-cyclohepta-1,3,6-triencarbonsaeure；5-Oxocyclohepta-1,3,6-triene-1-carboxylic acid
• CAS: 22855-63-6
• 化学式: C₈H₆O₃
• mdl: MFCD18805341
• 分子量: 150.134
• InChiKey: LDJBJXRAHZSWIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2918300090

反应信息

• 作为反应物：
  描述：

  5-氧代-1,3,6-环庚三烯-1-羧酸 在 吡啶 、 sodium hydroxide 、 乙醇 、 盐酸羟胺 作用下， 生成 5-carboxytropolone
  参考文献：
  名称：

  Terrestrial heat flow in Junggar Basin, Northwest China

  摘要：

  Based on temperature logs of 117 boreholes and thermal conductivity of 119 rock samples, the first group of 35 heat flow data in the Junggar Basin are presented. The thermal gradients vary between 11.6 and 26.5 degreesC/km, and the thermal conductivity changes from 0.17 to 3.6 W/mK. Heat flow ranges from 23.4 to 53.7 mW/m(2) with a mean of (42.3+/-7.7) mW/m2. The heat flow pattern shows that heat flow is higher in the uplifts and lower in the depressions. The factors affecting the heat flow and its distribution include basin type, basement structure, sediment thickness, radioactive heat generation, etc. The overall low present-day heat flow in the Junggar Basin reflected its tectonothermal evolution characterized by lithospheric thickening, thrust and fault at shallow crust as well as consequently quick subsidence during the Late Cenozoic.

  DOI：

  10.1007/bf02886273
• 作为产物：
  描述：

  4-methoxy-cyclohepta-1,3,6-trienecarboxylic acid 在 氯仿 、 溴 作用下， 生成 5-氧代-1,3,6-环庚三烯-1-羧酸
  参考文献：
  名称：

  Bartels-Keith et al., Journal of the Chemical Society, 1952, p. 4461,4464

  摘要：

  DOI：

文献信息

• Multiple Homoallyl-Umlagerungen bei der Hydrolyse von 3,5-Dibrom-tricyclo [2,2,2,02,6] octanen. Bicyclo [2,2,2] octan-Reihe, 7. Mitteilung
  作者：C. A. Grob、J. Hostynek

  DOI：10.1002/hlca.19630460640

  日期：——

  exo-cis forms of 3,5-dibromo-tricyclo[2,2,2,02,6]-octane, 6 and 7 respectively, proceeds at an enhanced rate and leads exclusively to tricyclo[2,2,2,0]2,6]octane-3,5-endo-cis-diol (diol B, 31). In the presence of acid, ca 70% of this kinetically controlled product is converted into five isomeric diols, viz. bicyclo[3,2,l]oct76-ene-2, 8-exo-diol (diol A, 25), bicyclo[2,2,2]oct-5-ene-2,3-trans-diol (diol

  3,5-二溴-三环[2,2,2,0 2,6 ]-辛烷，6和7的反式和顺式水解分别以增加的速率进行，并仅导致三环[2， 2,2,0] 2,6 ]辛烷-3,5-内-顺式-二醇（二醇B，31）。在酸的存在下，约70％的该动力学控制产物被转化为五种异构二醇，即。双环[3,2,1] oct76-ene-2，8-exo-diol（二醇A，25），双环[2,2,2] oct-5-ene-2,3-trans-diol（二醇C ，29），双环[3,2，l] oct-6-ene-2-exo-8-endo-diol（二醇D，27），三环-[2,2,2,0 2,6 ]辛烷- 3，5-反式-二醇（二醇E，33）和三环[2,2,2,0 2,6 ]辛烷-3，5-异-顺式-二醇（二醇F，32）。
• Bartels-Keith et al., Journal of the Chemical Society, 1952, p. 4461,4464
  作者：Bartels-Keith et al.

  DOI：——

  日期：——
• Terrestrial heat flow in Junggar Basin, Northwest China
  作者：Shejiao Wang、Shengbiao Hu、Tiejun Li、Jiyang Wang、Wenzhi Zhao

  DOI：10.1007/bf02886273

  日期：2000.10

  Based on temperature logs of 117 boreholes and thermal conductivity of 119 rock samples, the first group of 35 heat flow data in the Junggar Basin are presented. The thermal gradients vary between 11.6 and 26.5 degreesC/km, and the thermal conductivity changes from 0.17 to 3.6 W/mK. Heat flow ranges from 23.4 to 53.7 mW/m(2) with a mean of (42.3+/-7.7) mW/m2. The heat flow pattern shows that heat flow is higher in the uplifts and lower in the depressions. The factors affecting the heat flow and its distribution include basin type, basement structure, sediment thickness, radioactive heat generation, etc. The overall low present-day heat flow in the Junggar Basin reflected its tectonothermal evolution characterized by lithospheric thickening, thrust and fault at shallow crust as well as consequently quick subsidence during the Late Cenozoic.