dimethyl 4-oxo-2,6-diphenylcyclohexane-1,1-dicarboxylate | 41167-36-6

• 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: dimethyl 4-oxo-2,6-diphenylcyclohexane-1,1-dicarboxylate
• 英文别名: 4-oxo-2,6-diphenyl-cyclohexane-1,1-dicarboxylic acid dimethyl ester；4-Oxo-2,6-diphenyl-cyclohexan-1,1-dicarbonsaeure-dimethylester；methyl-2,6-diphenyl-cyclohexane-4-one-1,1-dicarboxylate；dimethyl 2,6-diphenyl-4-oxocyclohexane-1,1-dicarboxylate
• CAS: 41167-36-6
• 化学式: C₂₂H₂₂O₅
• mdl: MFCD02932939
• 分子量: 366.414
• InChiKey: FTUPPKXMEXHVCD-UHFFFAOYSA-N

物化性质

• 熔点：
  132-136 °C
• 沸点：
  480.3±45.0 °C(Predicted)
• 密度：
  1.201±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  dimethyl 4-oxo-2,6-diphenylcyclohexane-1,1-dicarboxylate 在 sodium hydroxide 、 ammonium cerium(IV) nitrate 作用下， 以 甲醇 、 水 、 乙腈 为溶剂， 反应 5.0h， 生成 2,6-Diphenylcyclohexane-1,4-dione
  参考文献：
  名称：

  Cyclohexanone Gem-Dicarboxylates - Versatile Intermediates for Fused Heterocycles

  摘要：

  DOI：

  10.1080/00397919908085815
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 sodium methylate 作用下， 生成 dimethyl 4-oxo-2,6-diphenylcyclohexane-1,1-dicarboxylate
  参考文献：
  名称：

  Kohler, Dewey, Journal of the American Chemical Society, 1924, vol. 46, p. 1272

  摘要：

  DOI：

文献信息

• Michael addition approach for the synthesis of novel spiro compounds and 2-substituted malonic acid derivatives from Meldrum’s acid
  作者：Madhukar S. Chande、Rahul R. Khanwelkar

  DOI：10.1016/j.tetlet.2005.09.030

  日期：2005.11

  Novel routes for the synthesis of spiro derivatives of Meldrum’s acid and 2-substituted malonic acid derivatives have been developed. Meldrum’s acid was monoalkylated using a Michael addition reaction. Mono-Michael adducts were then alkylated using substituted haloalkanes, which on condensation gave spiro derivatives of Meldrum’s acid. Bis Michael addition of Meldrum’s acid with 1,5-diaryl-1,4-pentadien-3-one

  已经开发了用于合成Meldrum的酸和2-取代的丙二酸衍生物的螺环衍生物的新途径。使用迈克尔加成反应将麦德鲁姆酸单烷基化。然后使用取代的卤代烷烃将单迈克尔加成物烷基化，该缩合的卤代烷烃在缩合后产生麦德鲁姆酸的螺环衍生物。Meldrum酸与1,5-二芳基-1,4-pentadien-3-one的Bis Michael加成直接得到Meldrum酸的螺环衍生物。这些化合物和双烷基化的麦德鲁姆酸衍生物，在酸性甲醇分解作用下，得到2-取代的丙二酸。
• Synthesis, Characterization and Evaluation of Topical Antiinflammatory Activity of Dimethyl 4-Oxo-2,6-diphenylcyclohexane-1,1-dicarboxylate
  作者：Mazin Nadhim Mousa Al Ugla

  DOI：10.14233/ajchem.2013.13013

  日期：——

  An attempt was made to synthesize a topical preparation of an active compound that has a potent antiinflammatory activity. Dimethyl 4-oxo-2,6-diphenylcyclohexane-1,1-dicarboxylate (II) was prepared by aldol condensation of benzaldehyde and acetone followed by Michael addition of dimethyl malonate. The optimum concentration of the compound was determined by comparing the antiinflammatory effect of ointment preparations at different concentrations. The antiinflammatory effects were studied by using carrageenan-induced paw edema method in rat and xylene induced rat ear edema. Good effect was observed with ointment containing 4 % and 5 % of the compound II concentration. The results showed that the drug had an obvious antiinflammatory effect as an external preparation and the activity is comparable to that of the standard ointment.

  我们尝试合成一种具有强效抗炎活性的活性化合物外用制剂。4-oxo-2,6- 二苯基环己烷-1,1-二甲酸二甲酯 (II) 是通过苯甲醛和丙酮的醛醇缩合反应，然后加入丙二酸二甲酯制备的。通过比较不同浓度软膏制剂的抗炎效果，确定了化合物的最佳浓度。使用卡拉胶诱导的大鼠爪水肿法和二甲苯诱导的大鼠耳水肿法研究了抗炎效果。含有 4 % 和 5 % 化合物 II 浓度的软膏具有良好的效果。结果表明，该药物作为外用制剂具有明显的抗炎效果，其活性与标准软膏相当。
• Polycyclic dihydroxy compounds and methods for preparation
  申请人：General Electric Company

  公开号：US07208620B1

  公开（公告）日：2007-04-24

  A dihydroxy aromatic compound having a Formula (I) wherein R1 is selected from the group consisting of a cyano functionality, a nitro functionality, an aliphatic functionality having 1 to 10 carbons, an aliphatic ester functionality having 2 to 10 carbons, a cycloaliphatic ester functionality having 4 to 10 carbons and an aromatic ester functionality having 4 to 10 carbons; R2 is selected from the group consisting of a cyano functionality, a nitro functionality, an aliphatic ester functionality having 2 to 10 carbons, a cycloaliphatic ester functionality having 4 to 10 carbons and an aromatic ester functionality having 4 to 10 carbons; and each R3 and R4, at each occurrence, can be the same or different and are independently at each occurrence an aliphatic functionality having 1 to 10 carbons or a cycloaliphatic functionality having 3 to 10 carbons, “n” is an integer having a value 0 to 4 and “m” is an integer having a value 0 to 4.

  一种具有化学式（I）的二羟基芳香化合物，其中R1选自以下组合：氰基官能团、硝基官能团、具有1至10个碳原子的脂肪族官能团、具有2至10个碳原子的脂肪族酯官能团、具有4至10个碳原子的环脂肪族酯官能团和具有4至10个碳原子的芳香族酯官能团；R2选自以下组合：氰基官能团、硝基官能团、具有2至10个碳原子的脂肪族酯官能团、具有4至10个碳原子的环脂肪族酯官能团和具有4至10个碳原子的芳香族酯官能团；每个R3和R4，在每次出现时，可以相同也可以不同，并且在每次出现时独立地是具有1至10个碳原子的脂肪族官能团或具有3至10个碳原子的环脂肪族官能团，“n”是取值为0至4的整数，“m”是取值为0至4的整数。
• POLYCYCLIC DIHYDROXY COMPOUNDS AND METHODS FOR PREPARATION
  申请人：Kamps Henk Jan

  公开号：US20070100156A1

  公开（公告）日：2007-05-03

  A dihydroxy aromatic compound having a Formula (I) wherein R 1 is selected from the group consisting of a cyano functionality, a nitro functionality, an aliphatic functionality having 1 to 10 carbons, an aliphatic ester functionality having 2 to 10 carbons, a cycloaliphatic ester functionality having 4 to 10 carbons and an aromatic ester functionality having 4 to 10 carbons; R 2 is selected from the group consisting of a cyano functionality, a nitro functionality, an aliphatic ester functionality having 2 to 10 carbons, a cycloaliphatic ester functionality having 4 to 10 carbons and an aromatic ester functionality having 4 to 10 carbons; and each R 3 and R 4 , at each occurrence, can be the same or different and are independently at each occurrence an aliphatic functionality having 1 to 10 carbons or a cycloaliphatic functionality having 3 to 10 carbons, “n” is an integer having a value 0 to 4 and “m” is an integer having a value 0 to 4.

  一种二羟基芳香化合物，其化学式为（I），其中R1选择自氰基、硝基、具有1-10个碳的脂肪基、具有2-10个碳的脂肪酸酯基、具有4-10个碳的环脂肪酸酯基和具有4-10个碳的芳香族酯基的群体中的一种；R2选择自氰基、硝基、具有2-10个碳的脂肪酸酯基、具有4-10个碳的环脂肪酸酯基和具有4-10个碳的芳香族酯基的群体中的一种；每个R3和R4在每次出现时可以相同或不同，并且在每次出现时独立地是具有1-10个碳的脂肪基或具有3-10个碳的环脂肪基，“n”是具有值0到4的整数，“m”是具有值0到4的整数。
• METHODS OF POLYMER PREPARATION USING POLYCYCLIC DIHYDROXY COMPOUNDS
  申请人：Kamps Henk Jan

  公开号：US20070260033A1

  公开（公告）日：2007-11-08

  Disclosed herein is a process for preparing a polymer comprising structural units derived from polycyclic dihydroxy compound having Formula (I), wherein R 1 is selected from the group consisting of a cyano functionality, a nitro functionality, an aliphatic functionality having 1 to 10 carbons, an aliphatic ester functionality having 2 to 10 carbons, a cycloaliphatic ester functionality having 4 to 10 carbons and an aromatic ester functionality having 4 to 10 carbons; R 2 is selected from the group consisting of a cyano functionality, a nitro functionality, an aliphatic ester functionality having 2 to 10 carbons, a cycloaliphatic ester functionality having 4 to 10 carbons and an aromatic ester functionality having 4 to 10 carbons; and each R 3 and R 4 , at each occurrence, can be the same or different and are independently at each occurrence an aliphatic functionality having 1 to 10 carbons or a cycloaliphatic functionality having 3 to 10 carbons, “n” is an integer having a value 0 to 4 and “m” is an integer having a value 0 to 4. The process comprises subjecting a polycyclic dihydroxy compound of Formula (I) to polymerization.

  本文公开了一种制备聚合物的方法，其中该聚合物的结构单元源自具有式（I）的多环二羟基化合物，其中R1选自以下组中的一种：具有1至10个碳的脂肪族官能团、具有2至10个碳的脂肪族酯官能团、具有4至10个碳的环脂肪族酯官能团、具有4至10个碳的芳香族酯官能团、氰基官能团和硝基官能团；R2选自以下组中的一种：具有2至10个碳的脂肪族酯官能团、具有4至10个碳的环脂肪族酯官能团、具有4至10个碳的芳香族酯官能团、氰基官能团和硝基官能团；每个R3和R4，在每次出现时可以相同或不同，并且在每次出现时都是独立的，可以是具有1至10个碳的脂肪族官能团或具有3至10个碳的环脂肪族官能团，“n”是一个整数，其值为0到4，“m”是一个整数，其值为0到4。该方法包括将式（I）的多环二羟基化合物进行聚合。