1,6-Dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid | 60463-01-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羟基酸及其衍生物
• 英文名称: 1,6-Dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid
• CAS: 60463-01-6
• 化学式: C₈H₁₀O₄
• 分子量: 170.16
• InChiKey: KWQSYZVAOWYCNP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  77.8
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,6-Dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid 生成 对甲酚
  参考文献：
  名称：

  摘要：

  DOI：
• 作为产物：
  描述：

  对二甲苯 生成 1,6-Dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Catalytic reduction of lignin acids and substituted aliphatic carboxylic acid compounds
  申请人：Carter Melvin Keith

  公开号：US20120123171A1

  公开（公告）日：2012-05-17

  Renewable resources comprising bagasse, corn stover, wood sawdust and switch grass are subject to direct catalytic conversion or bio-fermentation processes producing ethanol and organic by products leaving complex lignin compounds as waste for disposal. Chemical conversion of lignin compounds to aromatic lignin acids followed by reductive hydrogenation to cresol and substituted creosol compounds prepares these natural resources for chemical conversion to a form of gasoline and valued industrial compounds. The process disclosed herein is also applicable to organic carboxylic acid compounds such as natural oils producing valued liquid hydrocarbon fuels. Specifically catalytic reactions are taught for reductive chemical hydrogenation of lignin acids comprising 4-hydroxy-3,5-dimethoxybenzoic acid, 4,5-dihydroxy-3-methoxybenzoic acid, 4-hydroxy-3-methoxybenzoic acid, 4-hydroxybenzoic acid and substituted aliphatic carboxylic acid comprising citric and oleic acid compounds in contact with an iron or steel metal surface, a promoter comprising an alkali metal sulfate and a catalyst comprising Co(II)—Co(III) or Mn(II)—Co(III) compound using hydrogen gas at ambient to 10 atmospheres pressure. This process readily forms valued organic compounds from waste natural materials thereby increasing their value.

  可再生资源包括蔗渣、玉米秸秆、木屑和开花草，经过直接催化转化或生物发酵过程产生乙醇和有机副产品，留下复杂的木质素化合物作为废物处理。将木质素化合物化学转化为芳香木质素酸，然后进行还原氢化生成甲酚和取代甲酚化合物，为这些天然资源的化学转化成汽油和有价值的工业化合物做准备。本文所披露的过程也适用于有机羧酸化合物，如生物油，生产有价值的液体烃燃料。具体地，教授了用于还原化学氢化木质素酸的催化反应，包括4-羟基-3,5-二甲氧基苯甲酸、4,5-二羟基-3-甲氧基苯甲酸、4-羟基-3-甲氧基苯甲酸、4-羟基苯甲酸和取代脂肪族羧酸，包括柠檬酸和油酸化合物，与铁或钢金属表面接触，促进剂包括碱金属硫酸盐和催化剂包括Co(II)—Co(III)或Mn(II)—Co(III)化合物，在常压至10大气压下使用氢气。这个过程可以从废弃的天然材料中轻松形成有价值的有机化合物，从而增加它们的价值。
• Catalytic Pulsed Flow Hydrogenation Of Lignin Carboxylic Acid Compounds
  申请人：Carter M. K.

  公开号：US20150011801A1

  公开（公告）日：2015-01-08

  Renewable resources comprising bagasse, corn stover, wood sawdust and switch grass are subject to direct catalytic conversion or bio-fermentation producing ethanol leaving complex lignin compounds for disposal. Chemical conversion of lignin compounds (recoverable from digested lignin) to substituted phenols followed by a carbon steel catalyzed pulsed flow hydrogenation produces cresol and substituted creosol compounds. The pulsed flow process produced close to 100 percent reduction of the reactants compared to 25 percent with continuous flow and is applicable to aliphatic carboxylic acid compounds such as natural oils producing valued liquid hydrocarbons. Specifically reactions are taught for carbon steel catalyzed pulsed flow hydrogenation of lignin carboxylic acids comprising 4-hydroxy-3,5-dimethoxybenzoic acid, 4,5-dihydroxy-3-methoxybenzoic acid, 4-hydroxy-3-methoxybenzoic acid, 4-hydroxybenzoic acid and substituted aliphatic carboxylic acid compounds comprising citric and oleic acids in contact with a promoter comprising an anhydrous sodium sulfate and an activator comprising Co(II)-Co(III)-Co(II) using hydrogen gas at 225° C. to 350° C. and ambient to 10 atmospheres pressure.

  可再生资源包括蔗渣、玉米秸秆、木屑和开花草，经过直接催化转化或生物发酵产生乙醇，留下复杂的木质素化合物待处理。从消化木质素中回收的木质素化合物经化学转化为取代酚，然后经过碳钢催化的脉冲流氢化反应产生甲酚和取代甲酚化合物。与连续流相比，脉冲流过程使反应物减少了接近100％，适用于脂肪族羧酸化合物，如生物油，产生有价值的液态烃。具体地，教授了碳钢催化的脉冲流氢化反应，包括4-羟基-3,5-二甲氧基苯甲酸、4,5-二羟基-3-甲氧基苯甲酸、4-羟基-3-甲氧基苯甲酸、4-羟基苯甲酸和包括柠檬酸和油酸在内的取代脂肪族羧酸化合物，与包括无水硫酸钠的促进剂和包括Co(II)-Co(III)-Co(II)的活化剂接触，在225°C至350°C和大气压至10大气压的氢气条件下进行。
• Probe compound for detecting and isolating enzymes and means and methods using the same
  申请人：Helmholtz-Zentrum für Infektionsforschung GmbH

  公开号：EP2230312A1

  公开（公告）日：2010-09-22

  The present invention relates to a probe compound that can comprise any substrate or metabolite of an enzymatic reaction in addition to an indicator component, such as, for example, a fluorescence dye, or the like. Moreover, the present invention relates to means for detecting enzymes in form of an array, which comprises any number of probe compounds of the invention which each comprise a different metabolite of interconnected metabolites representing the central pathways in all forms of life. Moreover, the present invention relates to a method for detecting enzymes involving the application of cell extracts or the like to the array of the invention which leads to reproducible enzymatic reactions with the substrates. These specific enzymatic reactions trigger the indicator (e.g. a fluorescence signal) and bind the enzymes to the respective cognate substrates. Moreover, the invention relates to means for isolating enzymes in form of nanoparticles coated with the probe compound of the invention. The immobilisation of the cognate substrates or metabolites on the surface of nanoparticles by means of the probe compounds allows capturing and isolating the respective enzyme, e.g. for subsequent sequencing.

  本发明涉及一种探针化合物，它可以包括酶反应的任何底物或代谢物，此外还包括指示成分，例如荧光染料或类似物。此外，本发明还涉及以阵列形式检测酶的方法，该阵列由任意数量的本发明探针化合物组成，每种探针化合物由代表所有生命形式中中心途径的相互关联的代谢物中的不同代谢物组成。此外，本发明还涉及一种检测酶的方法，该方法涉及将细胞提取物或类似物应用于本发明的阵列，从而导致与底物发生可重复的酶反应。这些特定的酶反应会触发指示剂（如荧光信号），并将酶与各自的同源底物结合。此外，本发明还涉及以涂覆有本发明探针化合物的纳米颗粒形式分离酶的方法。通过探针化合物将同源底物或代谢物固定在纳米颗粒表面，可以捕获和分离相应的酶，例如用于后续测序。
• ——
  作者：HAGEDORN S.

  DOI：——

  日期：——
• ROJO, F.;PIEPER, D. H.;ENGESSER, K. -H.;KNACKMUSS, H. -J.;TIMMIS, K. N., SCIENCE, 238,(1987) N 4832, 1395-1398
  作者：ROJO, F.、PIEPER, D. H.、ENGESSER, K. -H.、KNACKMUSS, H. -J.、TIMMIS, K. N.

  DOI：——

  日期：——