1-(3,4-二甲氧基-苯基)-6,7-二甲氧基-1,2,3,4-四氢-萘-2,3-二羧酸 | 26817-99-2

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物 - 芳基四氢萘木脂素
• 中文名称: 1-(3,4-二甲氧基-苯基)-6,7-二甲氧基-1,2,3,4-四氢-萘-2,3-二羧酸
• 英文名称: 1-(3,4-dimethoxy-phenyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-naphthalene-2,3-dicarboxylic acid
• 英文别名: α-conidendreic acid dimethyl ether；(1S)-1r-(3,4-dimethoxy-phenyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-naphthalene-2t,3c-dicarboxylic acid；(1S)-1r-(3,4-Dimethoxy-phenyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-naphthalin-2t,3c-dicarbonsaeure；6.7-Dimethoxy-1-(3.4-dimethoxy-phenyl)-tetralin-dicarbonsaeure-(2.3)
• CAS: 26817-99-2；59527-53-6；78178-28-6；78178-51-5
• 化学式: C₂₂H₂₄O₈
• 分子量: 416.428
• InChiKey: XYPPQZKSFVYZLK-XKCBZBSRSA-N

物化性质

• 熔点：
  193-194 °C
• 沸点：
  620.0±55.0 °C(Predicted)
• 密度：
  1.297±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.81
• 重原子数：
  30.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  111.52
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  1-(3,4-二甲氧基-苯基)-6,7-二甲氧基-1,2,3,4-四氢-萘-2,3-二羧酸 在 乙酰氯 作用下， 生成 α-conidendreic acid anhydride dimethyl ether
  参考文献：
  名称：

  Conidendrin. II.¹ The Stereochemistry and Reactions of the Lactone Ring²

  摘要：

  DOI：

  10.1021/ja01649a021
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 sodium hypobromide 作用下， 生成 1-(3,4-二甲氧基-苯基)-6,7-二甲氧基-1,2,3,4-四氢-萘-2,3-二羧酸
  参考文献：
  名称：

  Origin of scapolite in deep-seated metagabbros of the Kohistan Arc, NW Himalayas

  摘要：

  Scapolites developed variably in the deep-seated metagabbros of the Kohistan Are, north Pakistan, were investigated to evaluate the distribution and migration of C-O-H-S fluid and origin of carbon in the lower crust. Scapolites can be classified, based on their distinct difference in occurrence and chemical composition, into carbonate type and sulfate-rich type. Carbonate-type scapolites occur around carbonate pods in the layered gabbros at the mid-crustal levels and were formed by an increase in the CaO activity in the country rocks and simultaneous decarbonation of calcite. Predicted equilibrium CO2 mole fraction in fluid (X-CO2) is sufficiently low to be consistent with removal of CO2. Sulfate-rich scapolites occur in the garnet-bearing granulites at the lower crustal level and were formed by breakdown reactions of garnet and plagioclase under relatively higher CO2 activity (a(CO2)) and oxygen fugacity. The carbon isotopic composition (delta C-13) in carbonate scapolite is equivalent to the juvenile mantle (-5 to -6 parts per thousand), whereas sulfate-rich scapolite has heavy carbon stable isotope values close to 0 parts per thousand. These results reveal that carbonate scapolite was formed by decarbonation and metasomatism of igneous carbonate pods with the host metagabbros under granulite facies conditions, and sulfate-rich scapolites were formed by infiltration of CO2-rich fluid derived from decarbonation of carbonate-bearing sediments in the subducting slab.

  DOI：

  10.1007/s004100000207

文献信息

• Erdtman, Justus Liebigs Annalen der Chemie, 1934, vol. 513, p. 229,237
  作者：Erdtman

  DOI：——

  日期：——
• Holmberg, Chemische Berichte, 1921, vol. 54, p. 2404,2405
  作者：Holmberg

  DOI：——

  日期：——