1-(4-hydroxyphenyl)-4-methylpentan-3-one | 66422-87-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 1-(4-hydroxyphenyl)-4-methylpentan-3-one
• 英文别名: 1-(4-Hydroxy-phenyl)-4-methyl-pentan-3-on
• CAS: 66422-87-5
• 化学式: C₁₂H₁₆O₂
• 分子量: 192.258
• InChiKey: FQBGIKOCCJTAQL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(4-hydroxyphenyl)-4-methylpentan-3-one 在 5percent Pd/C 氢气 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 (R)-3-Hydroxy-3-[2-(4-hydroxy-phenyl)-ethyl]-4-methyl-pentanoic acid
  参考文献：
  名称：

  5,6-Dihydropyran-2-ones Possessing Various Sulfonyl Functionalities:  Potent Nonpeptidic Inhibitors of HIV Protease

  摘要：

  On the basis of previous SAR findings and molecular modeling studies, a series of compounds were synthesized which possessed various sulfonyl moieties substituted at the 4-position of the C-3 phenyl ring substituent of the dihydropyran-2-one ring system. The sulfonyl substituents were added in an attempt to fill the additional S-3' pocket and thereby produce increasingly potent inhibitors of the target enzyme. Racemic and enantiomerically resolved varieties of selected compounds were synthesized. All analogues in the study displayed decent binding affinity to HIV protease, and several compounds were shown to possess very good antiviral efficacy and safety margins. X-ray crystallographic structures confirmed that the sulfonamide and sulfonate moieties were filling the S3' pocket of the enzyme. However, the additional substituent did not provide improved enzymatic inhibitory or antiviral activity as compared to the resolved unsubstituted aniline. The addition of the sulfonyl moiety substitution does not appear to provide favorable pharamacokinectic parameters. Selected inhibitors were tested for antiviral activity in clinical isolates and exhibited similar antiviral activity against all of the HIV-1 strains tested as they did against the wild-type HIV-1, In addition, the inhibitors exhibited good antiviral efficacies against HIV-1 strains that displayed resistance to the currently marketed protease inhibitors.

  DOI：

  10.1021/jm990281p
• 作为产物：
  描述：

  4-((tert-butyldiphenylsilyl)oxy)benzyl 4-methyl-3-oxopentanoate 在 四丁基氟化铵 、 zinc(II) chloride 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 0.75h， 以70%的产率得到1-(4-hydroxyphenyl)-4-methylpentan-3-one
  参考文献：
  名称：

  脱羧的Csp3-Csp3偶联，用于不稳定的酮烯醇酯的苯甲酸酯化：对-（酰基乙基）苯酚的合成

  摘要：

  已经开发出一种新的用于羧甲基化烯醇烯酸酯的脱羧Csp3-Csp3偶联方法。在高温条件下，可以方便地合成多种树莓酮衍生物，并具有良好的产率。

  DOI：

  10.1039/c6cc03835b

文献信息

• Compositions and Methods for Fermentation of Biomass
  申请人：Parekh Sarad

  公开号：US20100268000A1

  公开（公告）日：2010-10-21

  In one aspect, this invention relates to production of useful fermentation end-products from biomass through simultaneous hydrolysis and fermentation by a microorganism, such as Clostridium phytofermentans . The invention also relates to the development of a process for efficient pretreatment and conversion of lignocellulosic biomass to end-products with high conversion efficiency (yield). In another aspect, methods for producing a fermentation end-product by fermenting hexose (C6) and pentose (C5) sugars with a microorganism, such as Clostridium phytofermentans are disclosed herein.

  在一个方面，这项发明涉及通过微生物（如植物发酵槽菌）的同时水解和发酵，从生物质中生产有用的发酵终产物。该发明还涉及开发一种高效预处理和转化木质纤维素生物质为高转化效率（产率）的终产物的过程。在另一个方面，本文介绍了利用微生物（如植物发酵槽菌）发酵己糖（C6）和戊糖（C5）糖产生发酵终产物的方法。
• BIOFUEL PRODUCTION
  申请人：Yoshikuni Yasuo

  公开号：US20090139134A1

  公开（公告）日：2009-06-04

  Methods, enzymes, recombinant microorganism, and microbial systems are provided for converting polysaccharides, such as those derived from biomass, into suitable monosaccharides or oligosaccharides, as well as for converting suitable monosaccharides or oligosaccharides into commodity chemicals, such as biofuels. Commodity chemicals produced by the methods described herein are also provided. Commodity chemical enriched, refinery-produced petroleum products are also provided, as well as methods for producing the same.

  提供了用于将多糖转化为适当的单糖或寡糖的方法、酶、重组微生物和微生物系统，例如从生物质中提取的多糖。同时提供了将适当的单糖或寡糖转化为商品化学品，如生物燃料的方法。本文描述的方法生产的商品化学品也提供了。此外，还提供了商品化学品富集的、精炼生产的石油产品，以及生产这些产品的方法。
• METHODS AND COMPOSITIONS FOR PRODUCING CHEMICAL PRODUCTS FROM C. PHYTOFERMENTANS
  申请人：Schmalisch Matthias

  公开号：US20110183382A1

  公开（公告）日：2011-07-28

  This invention provides systems and methods for the production of compounds by C. phytofermentans. C. phytofermentans is genetically-engineered for hydrolysis and fermentation of carbonaceous biomass to synthesize compounds of commercial value.

  这项发明提供了通过C. phytofermentans生产化合物的系统和方法。C. phytofermentans被基因工程化，用于水解和发酵碳质生物质以合成具有商业价值的化合物。
• Isolated alcohol dehydrogenase enzymes and uses thereof
  申请人：Bio Architecture Lab, Inc.

  公开号：EP2463374A2

  公开（公告）日：2012-06-13

  Bacterial polynucleotides and polypeptides are provided in which the polypeptides have a dehydrogenase activity, such as an alcohol dehydrogenase (ADH) activity, an uronate, a 4-deoxy-L-erythro-5-hexoseulose uronate (DEHU) ((4S,5S)-4,5 dihydroxy-2,6-dioxohexanoate) hydrogenase activity, a 2-keto-3-deoxy-D-gluconate dehydrogenase activity, a D-mannuronate hydrogenase activity, and/or a D-mannnonate dehydrogenase activity. Methods, enzymes, recombinant microorganism, and microbial systems are also provided for converting polysaccharides, such as those derived from biomass, into suitable monosaccharides or oligosaccharides, as well as for converting suitable monosaccharides or oligosaccharides into commodity chemicals, such as biofuels. Commodity chemicals produced by the methods described herein are also provided.

  提供了细菌多核苷酸和多肽，其中的多肽具有脱氢酶活性，如醇脱氢酶（ADH）活性、尿酸盐、4-脱氧-L-赤式-5-己糖尿酸盐（DEHU）（（4S、5S）-4,5-二羟基-2,6-二氧代己酸）氢化酶活性、2-酮基-3-脱氧-D-葡萄糖酸脱氢酶活性、D-甘露酸氢化酶活性和/或 D-甘露酸脱氢酶活性。还提供了将多糖（如来自生物质的多糖）转化为合适的单糖或低聚糖，以及将合适的单糖或低聚糖转化为商品化学品（如生物燃料）的方法、酶、重组微生物和微生物系统。还提供了通过本文所述方法生产的商品化学品。
• Rapid pretreatment
  申请人：Sweetwater Energy, Inc.

  公开号：US10844413B2

  公开（公告）日：2020-11-24

  Disclosed herein are methods, systems, and compositions for the pretreatment of biomass within seconds with low inhibitor formation. The pretreatment process is used to convert biomass to a fuel or other useful chemicals by subjecting the feedstock to a rapid retention time under pressure and temperature and/or chemical reactant. The system includes a continuously-operating valve discharge apparatus to discharge pretreated feedstock while maintaining uniform pressure on the pretreatment system.

  本文公开了在几秒钟内对生物质进行预处理且抑制剂形成较少的方法、系统和组合物。预处理过程通过使原料在压力和温度和/或化学反应剂作用下快速停留一段时间，将生物质转化为燃料或其他有用的化学品。该系统包括一个连续操作的阀门排放装置，用于排放经预处理的原料，同时保持预处理系统的压力均匀。