3-hydroxy-4-methoxy-2,6-dinitro-benzoic acid | 859196-68-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-hydroxy-4-methoxy-2,6-dinitro-benzoic acid
• 英文别名: 3-Hydroxy-4-methoxy-2,6-dinitro-benzoesaeure；2.6-Dinitro-3-oxy-4-methoxy-benzoesaeure；2.6-Dinitro-isovanillinsaeure；3-hydroxy-4-methoxy-2,6-dinitrobenzoic acid
• CAS: 859196-68-2
• 化学式: C₈H₆N₂O₈
• 分子量: 258.144
• InChiKey: MNMOOPFXMWHICN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.92
• 重原子数：
  18.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  153.04
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  3-hydroxy-4-methoxy-2,6-dinitro-benzoic acid 、 乙酸酐 在 硫酸 作用下， 生成 3-acetoxy-4-methoxy-2,6-dinitro-benzoic acid
  参考文献：
  名称：

  Wegscheider; Klemenc, Monatshefte fur Chemie, 1910, vol. 31, p. 723

  摘要：

  DOI：
• 作为产物：
  描述：

  3-羟基-4-甲氧基苯甲酸 在 硝酸 作用下， 生成 3-hydroxy-4-methoxy-2,6-dinitro-benzoic acid
  参考文献：
  名称：

  Matthiessen; Forster, Journal of the Chemical Society, 1868, vol. 21, p. 360

  摘要：

  DOI：

文献信息

• Klemenc, Monatshefte fur Chemie, 1914, vol. 35, p. 95
  作者：Klemenc

  DOI：——

  日期：——
• Wegscheider; Klemenc, Monatshefte fur Chemie, 1910, vol. 31, p. 714
  作者：Wegscheider、Klemenc

  DOI：——

  日期：——
• 179. β-Pseudognoscopine
  作者：Morrison Greenwood、Robert Robinson

  DOI：10.1039/jr9320001370

  日期：——
• Eclogite-facies quartz veins within metabasites of the Dabie Shan (eastern China): pressure–temperature–time–deformation path, composition of the fluid phase and fluid flow during exhumation of high-pressure rocks
  作者：Leander Franz

  DOI：10.1007/s004100000233

  日期：2001.6

  Metabasites in the high-pressure unit of the southern Dabie Shan (eastern China) contain quartz veins with high-pressure mineral assemblages. Two veins with the parageneses quartz-paragonite-ankerite-rutile and quartz-kyanite-talc-zoisite-rutile-calcite (pseudomorph after aragonite) as well as quartz-kyanite-paragonite-garnet-omphacite were investigated in detail. Host rocks of these veins are garnet amphibolites with eclogitic relies and quartz eclogites, respectively. The oldest phase of deformation (D1) is recorded in the eclogite, which displays a schistosity with shape align ment of high-pressure minerals such as omphacite, phengite and garnet. An estimate of the metamorphic P-T conditions yields 19-21 kbar at 570-620 degreesC for the eclogites. Fluid inclusion studies reveal a primary, low-salinity aqueous fluid phase responsible for the formation of the quartz veins. This is in correspondence with calculations of phase equilibrium curves on minerals of the vein paragenesis, which yield P-T conditions of 19.4 kbar and 591 degreesC in the presence of an aqueous fluid phase. Geochronology using the U-Pb system of rutile gives evidence for a Triassic minimum age of 207- 221 Ma for the vein formation, which fits in the geotectonic framework of the orogen. This rather wide age range arises from the heterogeneous nature of the initial lead isotopic composition, reflecting the heterogeneous sources of the lead and the fluid phase. Part of the fluid was probably generated by prograde dehydration reactions in the country rocks of the veins, whereas strong evidence is also given for the derivation from an older basement, which also underwent subduction. The veins may have formed by extensive hydraulic fracturing or by volume reduction during eclogitisation of the crust. Subsequent to the formation of the veins, great parts of the high-pressure rocks experienced an intensive, syn-tectonic (D2) amphibolite facies metamorphism at 8.5-10.5 kbar and 590-645 degreesC, indicating isothermal decompression during exhumation. In the course of this exhumation, pseudosecondary CO2 inclusions were trapped in quartz of the veins. The last recorded stage of the retrograde overprint took place under static, greenschist facies conditions (450-480 degreesC) in the stability field of kyanite. The shape of the metamorphic P-T path for this stage is reflected by the fluid phase, which either re-equilibrated during this event or penetrated the rock on fractures. These findings show that fluid flow during subduction-related high-pressure metamorphism and subsequent uplift is rather complex; the fluid phase may originate from different sources and may interact with country rocks in the form of a chromatographic column transforming mineral assemblages, and also changing its own character.