methyl 4-((cyclohexanecarbonyl)oxy)benzoate

• 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: methyl 4-((cyclohexanecarbonyl)oxy)benzoate
• 英文别名: Methyl 4-(cyclohexanecarbonyloxy)benzoate
• 化学式: C₁₅H₁₈O₄
• 分子量: 262.306
• InChiKey: KPJKMVWOPIVTTP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  环己烷 在 烯丙苯 、 potassium phosphate 、 一氧化碳 、 4-苯基-1-丁烯 、 水 、 potassium carbonate 、 三苯基膦 、 三环己基膦 作用下， 以 1,4-二氧六环 为溶剂， 80.0 ℃ 、4.0 MPa 条件下， 反应 24.0h， 生成 methyl 4-((cyclohexanecarbonyl)oxy)benzoate
  参考文献：
  名称：

  膦催化的光诱导烷基碘与酚类和 1,4-二恶烷通过电荷转移络合物的烷氧基羰基化

  摘要：

  电荷转移络合物和光照射的结合为可持续化学的要求提供了一个有前途的解决方案。在此，我们开发了膦催化的可见光诱导的烷基碘与酚类和醚类的烷氧基羰基化反应。基于电子供体-受体光活化策略，该反应可以在无过渡金属的条件下在常压 CO 下实现。这种有前途的方法展示了高官能团耐受性和出色的化学选择性。此外，还可以实现由未活化的烯烃和全氟烷基碘化物合成β-全氟烷基酰氧基酯的五组分全氟烷基化羰基化反应。此外，由于克级反应的优异性能和13CO结果，它为大规模生产和其他应用提供了潜在的机会。

  DOI：

  10.1016/s1872-2067(23)64398-0

文献信息

• 7,10-Dibromo-2,3-dicyanopyrazinophenanthrene Aggregates as a Photosensitizer for Nickel-Catalyzed Aryl Esterification
  作者：Xiaoqiang Yu、Min He、Shilei Yang、Ming Bao

  DOI：10.1055/s-0040-1720887

  日期：2022.7

  Self-assembled aggregates of 7,10-dibromo-2,3-dicyanopyrazinophenanthrene which act as a new organophotocatalyst in combination with Ni catalyst for the Caryl–Oacyl cross-coupling reactions of carboxylic acids with aryl halides are described. This visible-light-induced Caryl–Oacyl bond-formation reaction proceeds smoothly to afford aryl esters with satisfactory to excellent yields.

  自组装的7,10-二溴-2,3-二氰基吡啶菲烯聚集体，与Ni催化剂结合，作为一种新的有机光催化剂，用于羧酸与芳基卤化物的Caryl–Oacyl交叉偶联反应。这种可见光诱导的Caryl–Oacyl键合反应顺利进行，产率从令人满意到优异。
• Radical Carbonylation under Low <scp>CO</scp> Pressure: Synthesis of Esters from Activated Alkylamines at Transition <scp>Metal‐Free</scp> Conditions
  作者：Fengqian Zhao、Han‐Jun Ai、Xiao‐Feng Wu

  DOI：10.1002/cjoc.202000624

  日期：2021.4

  High CO pressure (> 40 bar) is usually needed in radical carbonylation reactions in the absence of metal catalyst. In this communication, we developed a transition‐metal‐free radical carbonylation of activated alkylamines with phenols and alcohols under low CO pressure (1—6 bar). Various esters were obtained in moderate to excellent yields under simple reaction conditions with good functional group

  在不存在金属催化剂的情况下进行自由基羰基化反应时，通常需要较高的CO压力（> 40 bar）。在此交流中，我们开发了在低CO压力（1-6 bar）下，活化的烷基胺与苯酚和醇类的过渡金属自由基羰基化反应。在简单的反应条件下，具有良好的官能团相容性，可以以中等至极好的收率获得各种酯。
• [EN] CARBAMIC ACID COMPOUNDS COMPRISING AN ESTER OR KETONE LINKAGE AS HDAC INHIBITORS<br/>[FR] COMPOSES D'ACIDE CARBAMIQUE COMPRENANT UNE LIAISON ESTER OU CETONE, UTILISES COMME INHIBITEURS DE L'HISTONE DESACETYLASE
  申请人：TOPOTARGET UK LTD

  公开号：WO2004065354A1

  公开（公告）日：2004-08-05

  This invention pertains to certain carbamic acid compounds of the formula (I), which inhibit HDAC (histone deacetylase) activity: wherein: J is a linking functional group and is independently: -O-C(=O)- or -C(=O)-O- or - C(=O)-; Cy is a cyclyl group and is independently: C3-20carbocyclyl, C3-20heterocyclyl, or C5-20aryl; and is optionally substituted; Q1 is a cyclyl leader group, and is independently a divalent bidentate group obtained by removing two hydrogen atoms from a ring carbon atom of a saturated monocyclic hydrocarbon having from 4 to 7 ring atoms, or by removing two hydrogen atoms from a ring carbon atom of saturated monocyclic heterocyclic compound having from 4 to 7 ring atoms including 1 nitrogen ring atom or 1 oxygen ring atom; and is optionally substituted; Q2 is an acid leader group, and is independently: C1-8alkylene; and is optionally substituted; or: Q2 is an acid leader group, and is independently: C5-20arylene; C5-20arylene-C1-7alkylene; C1-7alkylene-C5-20arylene; or C1-7alkylene-C5-20arylene-C1-7alkylene; and is optionally substituted; and pharmaceutically acceptable salts, solvates, amides, esters, ethers, chemically protected forms, and prodrugs thereof. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit HDAC,and in the treatment of conditions mediated by HDAC, cancer, proliferative conditions, psoriasis, etc.

  这项发明涉及某些具有以下式(I)的氨甲酸化合物，其抑制HDAC（组蛋白去乙酰化酶）活性：其中：J是一个连接的功能基团，独立地为：-O-C(=O)-或-C(=O)-O-或-C(=O)-；Cy是一个环烷基团，独立地为：C3-20碳环烷基、C3-20杂环烷基或C5-20芳基；并且可以选择性地被取代；Q1是一个环烷基领头基团，独立地是通过从具有4至7个环原子的饱和单环碳氢化合物的环碳原子中去除两个氢原子获得的双价双齿基团，或者通过从具有4至7个环原子，包括1个氮环原子或1个氧环原子的饱和单环杂环化合物的环碳原子中去除两个氢原子获得的双价双齿基团；并且可以选择性地被取代；Q2是一个酸领头基团，独立地为：C1-8烷基烯；并且可以选择性地被取代；或者：Q2是一个酸领头基团，独立地为：C5-20芳基烯；C5-20芳基烯-C1-7烷基烯；C1-7烷基烯-C5-20芳基烯；或C1-7烷基烯-C5-20芳基烯-C1-7烷基烯；并且可以选择性地被取代；以及其药学上可接受的盐、溶剂化合物、酰胺、酯、醚、化学保护形式和前药。本发明还涉及包括这种化合物的药物组合物，以及在体内外使用这种化合物和组合物来抑制HDAC，并用于治疗由HDAC介导的疾病、癌症、增殖性疾病、牛皮癣等。
• Carbamic acid compounds comprising an ester or ketone linkage as hdac inhibitors
  申请人：Finn W Paul

  公开号：US20060058282A1

  公开（公告）日：2006-03-16

  This invention pertains to certain carbamic acid compounds of the formula (I), which inhibit HDAC (histone deacetylase) activity: wherein: J is a linking functional group and is independently: —O—C(═O)— or —C(═O)—O— or —C(═O)—; Cy is a cyclyl group and is independently: C 3-20 carbocyclyl, C 3-20 heterocyclyl, or C 5-20 aryl; and is optionally substituted; Q 1 is a cyclyl leader group, and is independently a divalent bidentate group obtained by removing two hydrogen atoms from a ring carbon atom of a saturated monocyclic hydrocarbon having from 4 to 7 ring atoms, or by removing two hydrogen atoms from a ring carbon atom of saturated monocyclic heterocyclic compound having from 4 to 7 ring atoms including 1 nitrogen ring atom or 1 oxygen ring atom; and is optionally substituted; Q 2 is an acid leader group, and is independently: C 1-8 alkylene; and is optionally substituted; or: Q 2 is an acid leader group, and is independently: C 5-20 arylene; C 5-20 arylene-C 1-7 alkylene; C 1-7 alkylene-C 5-20 arylene; or C 1-7 alkylene-C 5-20 arylene-C 1-7 alkylene; and is optionally substituted; and pharmaceutically acceptable salts, solvates, amides, esters, ethers, chemically protected forms, and prodrugs thereof. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit HDAC, and in the treatment of conditions mediated by HDAC, cancer, proliferative conditions, psoriasis, etc.

  该发明涉及一类具有以下式子(I)的碳酰胺化合物，其抑制HDAC（组蛋白去乙酰化酶）活性：其中：J是连接功能基团，独立地为：—O—C(═O)—或—C(═O)—O—或—C(═O)—；Cy是环基团，独立地为：C3-20碳环基、C3-20杂环基或C5-20芳基；并且可以选择性地被取代；Q1是环基领导基团，独立地为从具有4至7个环原子的饱和单环烃或包括1个氮环原子或1个氧环原子的饱和单环杂环化合物的环碳原子上去除两个氢原子而得到的二价双齿基团；并且可以选择性地被取代；Q2是酸基领导基团，独立地为：C1-8烷基；并且可以选择性地被取代；或：Q2是酸基领导基团，独立地为：C5-20芳基、C5-20芳基-C1-7烷基、C1-7烷基-C5-20芳基或C1-7烷基-C5-20芳基-C1-7烷基；并且可以选择性地被取代；以及其药学上可接受的盐、溶剂化物、酰胺、酯、醚、化学保护形式和前药。本发明还涉及包含这样的化合物的制药组合物，以及这样的化合物和组合物的使用，无论是在体外还是体内，用于抑制HDAC，以及用于治疗由HDAC介导的疾病，如癌症、增生性疾病、牛皮癣等。
• Anthrazoline Photocatalyst for Promoting Esterification and Etherification Reactions via Photoredox/Nickel Dual Catalysis
  作者：Xiaolin Zhu、Qiujin Fan、Wei Luo、Danfeng Wang、Yihui Jia、Heyang Li、Zhen Wang、Qi Xiao、Xiaoming He

  DOI：10.1002/cjoc.202200663

  日期：2023.2.15

  readily prepared anthrazoline photocatalyst, which can effectively promote C—O bond formation reactions with the aid of Ni(II) complex. This methodology enables the esterification (36 examples) and etherification (8 examples) with a broad range of scope, allowing aryl and alkyl halides coupled with diverse carboxylic acids/alcohols. Our metal-free photocatalysts have a potential broad application, may

  在这里，我们展示了一种易于制备的蒽唑啉光催化剂，它可以在 Ni(II) 络合物的帮助下有效促进 C—O 键形成反应。这种方法使酯化（36 个例子）和醚化（8 个例子）具有广泛的范围，允许芳基和烷基卤化物与不同的羧酸/醇偶联。我们的无金属光催化剂具有潜在的广泛应用，可以作为某些基于铱和钌的光催化剂的替代品，并且对制药工业具有潜在的重要性。