2-propoxycumene

• 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: 2-propoxycumene
• 英文别名: 1-(1-methylethyl)-2-propoxybenzene；1-Propan-2-yl-2-propoxybenzene
• 化学式: C₁₂H₁₈O
• mdl: MFCD20390307
• 分子量: 178.274
• InChiKey: PXZNQYJRSBVTEC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-propoxycumene 在 N-羟基邻苯二甲酰亚胺 、 偶氮二甲氧基异庚腈 、 氧气 作用下， 以 乙腈 为溶剂， 30.0 ℃ 、101.32 kPa 条件下， 反应 24.0h， 以4%的产率得到2-(2-Propoxy-phenyl)-prop-2-yl-hydroperoxide
  参考文献：
  名称：

  Regioselective Hydroperoxygenation of Aralkanes and α,β‐Unsaturated Carbonyl Compounds Catalyzed byN‐Hydroxyphthalimide and 2,2′‐Azobis(4‐methoxy‐2,4‐dimethylvaleronitrile)

  摘要：

  Aerobic oxidation of aralkanes and alpha,beta-unsaturated carbonyl compounds in the presence of a catalytic amount of N-hydroxyphthalimide (NHPI) and 2,2'-Azobis(4-methoxy-2,4-dimethylvaleronitrile) (V-70) under 1 atmos. of oxygen at 30 degrees C gave alpha-hydroperoxyaralkanes and gamma-hydroperoxy-alpha, beta-unsaturated carbonyl compounds, respectively.

  DOI：

  10.1081/scc-200064901
• 作为产物：
  描述：

  1-(1-甲基乙基)-2-(2-丙烯-1-氧基)苯 在 sodium tetrahydroborate 、 ruthenium(III) chloride monohydrate 作用下， 以 水 、 2,4-滴二甲胺盐 为溶剂， 反应 1.0h， 生成 异丙苯酚 、 2-propoxycumene
  参考文献：
  名称：

  在多种水性溶剂混合物中使用硼氢化钠/催化钌（III）还原烯丙基芳基醚和烯丙基酯的还原裂解与氢化

  摘要：

  在0°C的各种水性溶剂混合物中，在催化量的氯化钌（III）存在下，使用硼氢化钠还原了烯丙基芳基醚。在四氢呋喃水溶液中，氢化是有利的途径（相应的芳基丙基醚的收率为85-100％）。而在N-甲基甲酰胺水溶液中，还原裂解占主导地位（酚类产物/芳基丙基醚的4：1混合物）。为了深入了解该过程的机理，对乙酸3-辛基-1-醇和乙酸反式-2-癸烯-1-基酯进行了相似的还原反应。两种基材都提供了与单电子转移机理不一致的产物。

  DOI：

  10.1016/j.tetlet.2010.12.023

文献信息

• NEW ORTHO-FUNCTIONALIZED P-CHIRAL ARYLPHOSPHINES AND DERIVATIVES: THEIR PREPARATION AND USE IN ASYMMETRIC CATALYSIS
  申请人：Stephan Michel

  公开号：US20100099875A1

  公开（公告）日：2010-04-22

  The invention relates to novel organo phosphorus P-chiral optically active compounds of formula (I) having a hydroxyl, mercapto, amino, carboxyl, sulfonyl group on aryl near a phosphorus atom, to the preparation and the use thereof in then asymmetrical catalysis of unsaturated compounds. Novel acylphosphine optically pure ligands embodied in the form of transition metal complexes exhibit an increased activity and enantloselectivity, in particular in asymmetrical hydrogenation, in comparison with the same type Uganda such as DiPAMP.

  该发明涉及具有化学式（I）的新型有机磷P-手性光学活性化合物，其在含磷原子附近的芳基上具有羟基、巯基、氨基、羧基、磺酰基基团，以及其在不对称催化不饱和化合物中的制备和使用。新型酰基膦光学纯配体以过渡金属配合物的形式体现，与同类型的乌干达化合物（如DiPAMP）相比，在不对称氢化等反应中表现出增强的活性和对映选择性。
• Phosphodiesterase inhibitors and nitric oxide donors, compositions and methods of use
  申请人：Garvey S. David

  公开号：US20080009498A1

  公开（公告）日：2008-01-10

  The invention provides novel compositions containing at least one phosphodiesterase inhibitor, and at least one compound that donates, transfers or releases nitric oxide, elevates endogenous levels of endothelium-derived relaxing factor, stimulates endogenous synthesis of nitric oxide or is a substrate for nitric oxide synthase and/or one or more vasoactive agents. The invention also provides methods for treating or preventing sexual dysfunctions in males and females, for enhancing sexual responses in males and females, and for treating or preventing diseases induced by the increased metabolism of cyclic guanosine 3′,5′-monophosphate (cGMP).

  本发明提供了一种新型组合物，其中包含至少一种磷酸二酯酶抑制剂和至少一种捐赠、转移或释放一氧化氮、提高内皮源性松弛因子内源水平、刺激内源性一氧化氮合成或是一种一氧化氮合酶底物和/或一种或多种血管活性物质。本发明还提供了治疗或预防男性和女性性功能障碍、增强男性和女性性反应以及治疗或预防由环鸟苷酸酶代谢增加引起的疾病的方法。
• CLASS- AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF
  申请人：Mazitschek Ralph

  公开号：US20120208889A1

  公开（公告）日：2012-08-16

  HDAC inhibitors of the general formula (I) and (II) and pharmaceutically acceptable salts thereof, as described herein, are useful as inhibitors of histone deacetylases or other deacetylases, and thus are useful for the treatment of various diseases and disorders associated with acetylase/deacetylase activity as described herein (e.g., cancer). In certain embodiments, the compounds of the invention selectively target either a class or isoform of the HDAC family. Another aspect of the invention provides an assay for determining the inhibitory effect of a test compound on an HDAC protein comprising: incubating the HDAC protein with a substrate of general formula (IIIc) in the presence of a test compound; and determining the activity of the HDAC protein.

  本文描述的具有一般式（I）和（II）及其药学上可接受的盐的HDAC抑制剂，可用作组蛋白去乙酰化酶或其他去乙酰化酶的抑制剂，并因此可用于治疗与去乙酰化酶/乙酰化酶活性相关的各种疾病和疾病，如本文所述（例如癌症）。在某些实施例中，本发明的化合物有选择性地靶向HDAC家族的一类或同工酶。本发明的另一个方面提供了一种测定试验化合物对HDAC蛋白质抑制作用的测定方法，包括：在试验化合物的存在下，将HDAC蛋白质与一般式（IIIc）的底物孵育，并确定HDAC蛋白质的活性。
• Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof
  申请人：Crinetics Pharmaceuticals, Inc.

  公开号：US10562884B2

  公开（公告）日：2020-02-18

  Described herein are compounds that are melanocortin subtype-2 receptor (MC2R) modulators, methods of making such compounds, pharmaceutical compositions and medicaments comprising such compounds, and methods of using such compounds in the treatment of conditions, diseases, or disorders that would benefit from modulation of MC2R activity.

  本文描述了黑色素皮质素亚型-2 受体（MC2R）调节剂化合物、制造此类化合物的方法、包含此类化合物的药物组合物和药物，以及使用此类化合物治疗可从调节 MC2R 活性中获益的病症、疾病或紊乱的方法。
• Acid-Catalyzed Hydrolysis of Some Primary Alkyl Phenyl Ethers.
  作者：Martti Lajunen、Riitta Laine、Marika Aaltonen、Kari Rissanen、M. Hanfland、E. Dooryhee

  DOI：10.3891/acta.chem.scand.51-1155

  日期：——

  Products were analyzed and rate constants of disappearance and hydrolysis, alkylation and/or rearrangement were measured for methyl, ethyl, propyl and allyl phenyl ethers by GC in concentrated aqueous perchloric acid solutions. Chlorination of the substrate and possibly of the product, phenol, was observed beside the hydrolysis of methyl phenyl ether and a slight chlorination of phenol beside the hydrolysis of ethyl phenyl ether. A marked Claisen rearrangement to isopropylphenols and alkylation to propyl isopropylphenyl ethers were observed in addition to the hydrolysis of propyl phenyl ether. The Claisen rearrangement to o-allylphenol was estimated to be quantitative in the case of allyl phenyl ether. The change of the reaction mechanism from A-2 (MeOPh and EtOPh) possibly via A-2(carbocation)(PrOPh?) to A-1 (allyl phenyl ether and possibly PrOPh) was deduced from the products, reaction rates, activation parameters, solvent deuterium isotope effect and parameters of excess acidity plots.