1,1-环己烷二乙酸二甲酯 | 70197-61-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 1,1-环己烷二乙酸二甲酯
• 英文名称: Dimethyl 1,1-cyclohexanediacetate
• 英文别名: cyclohexylidenedi-acetic acid dimethyl ester；Cyclohexylidendi-essigsaeure-dimethylester；3,3-Pentamethylenglutarsaeuredimethylester；Cyclohexan-diessigsaeure-1,1-dimethylester；methyl 2-[1-(2-methoxy-2-oxoethyl)cyclohexyl]acetate
• CAS: 70197-61-4
• 化学式: C₁₂H₂₀O₄
• mdl: MFCD20487668
• 分子量: 228.288
• InChiKey: NOKMZYNKIHUZBI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,1-环己烷二乙酸二甲酯 在 sodium hydroxide 作用下， 生成 螺[4.5]癸烷-2,3-二酮
  参考文献：
  名称：

  Eistert,B. et al., Chemische Berichte, 1960, vol. 93, p. 1451 - 1466

  摘要：

  DOI：
• 作为产物：
  描述：

  1,1-环己基二乙酸 在 硫酸 、 苯 作用下， 生成 1,1-环己烷二乙酸二甲酯
  参考文献：
  名称：

  385.物理性质和化学成分。第二部分β-β-戊二酸的酯

  摘要：

  DOI：

  10.1039/jr9340001758

文献信息

• Novel 4-(2-furoyl) aminopiperidines, intermediates in synthesizing the same, process for producing the same and medicinal use of the same
  申请人：Fukutomi Ryuuta

  公开号：US20050085508A1

  公开（公告）日：2005-04-21

  There are provided novel 4-(2-furoyl)aminopiperidines represented by the general formula (I), their synthetic intermediates, processes for their preparation and medicaments containing them. In the above formula, X is CH or N, and Y is a group of the following general formula (II), formula (II-a) or formula (III): wherein a, b and c are each an integer of 0-6; Z is CH 2 or NH; W is O or S; T is O or N—R 15 wherein R 15 is H, a C1-C6 alkyl group, a benzyl group or a phenethyl group; and R 1 is H, a C1-C6 alkoxycarbonyl group, a benzyloxycarbonyl group, or the like. The 4-(2-furoyl)aminopiperidine derivatives according to this invention possess opioid μ antagonistic activity and are useful for the treatment or prevention of side effects which are caused by μ receptors agonist and which are selected from constipation, nausea/emesis or itch, or for the treatment or prevention of idiopathic constipation, postoperative ileus, paralytic ileus, irritable bowel syndrome or chronic pruritus.

  提供了一种新的4-(2-呋喃酰基)氨基哌啶化合物，其通式表示为(I)，以及它们的合成中间体、制备过程和含有它们的药物。 在上述式中，X为CH或N，Y为以下通式(II)、式(II-a)或式(III)的基团： 其中a、b和c均为0-6的整数；Z为CH2或NH；W为O或S；T为O或N—R15，其中R15为H、C1-C6烷基、苄基或苯乙基；R1为H、C1-C6烷氧羰基、苄氧羰基或类似基团。本发明所述的4-(2-呋喃酰基)氨基哌啶衍生物具有阿片μ受体拮抗活性，可用于治疗或预防由μ受体激动剂引起的副作用，包括便秘、恶心/呕吐或瘙痒，或用于治疗或预防特发性便秘、术后肠梗阻、麻痹性肠梗阻、肠易激综合征或慢性瘙痒。
• Novel 4-(2-furoyl) aminopiperidienes, intermediates for synthesizing the same, processes for preparing the same and medicinal use of the same
  申请人：Fukutomi Ryuuta

  公开号：US20080194826A1

  公开（公告）日：2008-08-14

  A compound represented the general formula (V): wherein X is CH or N; and Y a is a group of the general formula selected from:

  一个化合物的一般式表示为(V)：其中X是CH或N; 而Y是从一般式中选择的一个基团：
• 4-(2-furoyl) aminopiperidines, intermediates in synthesizing the same, process for producing the same and medicinal use of the same
  申请人：Kyorin Pharmaceutical Co., Ltd.

  公开号：US07375115B2

  公开（公告）日：2008-05-20

  There are provided novel 4(2-furoyl)aminopiperidines represented by the general formula (I), their synthetic intermediates, processes for their preparation and medicaments containing them. In the above formula, X is OH or N, and Y is a group of the following general formula (II), formula (II-a) or formula (III): wherein a, b and c are each an integer of 0-6; Z is CH2 or NH; W is O or S; T is O or N—R15 wherein R15 is H, a C1-C6 alkyl group, a benzyl group or a phenethyl group; and R1 is H, a C1-C6 alkoxycarbonyl group, a benzyloxy-carbonyl group, or the like. The 4-(2-furoyl)aminopiperidine derivatives according to this invention possess opioid μ antagonistic activity and are useful for the treatment or prevention of side effects which are caused by μ receptors agonist and which are selected from constipation, nausea/emesis or itch, or for the treatment or prevention of idiopathic constipation, postoperative ileus, paralytic ileus, irritable bowel syndrome or chronic pruritus.

  提供了一种新型的4（2-呋喃基）氨基哌啶，其通式为（I），以及它们的合成中间体、制备方法和含有它们的药物。在上述公式中，X为OH或N，而Y为以下通式（II）、公式（II-a）或公式（III）的一种：其中a、b和c均为0-6的整数；Z为CH2或NH；W为O或S；T为O或N-R15，其中R15为H、C1-C6烷基、苄基或苯乙基；而R1为H、C1-C6烷氧羰基、苄氧羰基或类似物。根据本发明的4-(2-呋喃基)氨基哌啶衍生物具有阿片μ拮抗活性，并可用于治疗或预防由μ受体激动剂引起的副作用，包括便秘、恶心/呕吐或瘙痒，或用于治疗或预防特发性便秘、术后肠梗阻、麻痹性肠梗阻、肠易激综合征或慢性瘙痒。
• NOVEL 4-(2FUROYL)AMINOPIPERIDINES, INTERMEDIATES IN SYNTHESIZING THE SAME, PROCESS FOR PRODUCING THE SAME AND MEDICINAL USE OF THE SAME
  申请人：Kyorin Pharmaceutical Co., Ltd.

  公开号：EP1443046B1

  公开（公告）日：2008-12-17
• Reaction of Superoxide with Aci-Reductones
  作者：Aryeh A. Frimer、Vered Marks、Pessia Gilinsky-Sharon、Ladis Aljadeff、Hugo E. Gottlieb

  DOI：10.1021/jo00119a031

  日期：1995.7

  Three reductones, 2,3-dihydroxy-4,4-diphenyl-2,5-cyclohexadien-1-one(11), 3,4-dihydroxycoumarin (35), and 3,4-dihydroxyspiro[5.5]undecan-3-en-4-one (64), were prepared and subsequently reacted with superoxide anion radical(O-2(.-)), generated from KO2 and 18-crown-6 polyether. The reactions were carried out in aprotic media and quenched with methyl iodide which facilitates the trapping of the various oxyanions formed. While a plethora of products were formed in each case [2-hydroxy-2-methyl-4,4-diphenyl-5-cyclohexene-1,3-dione (17), dimethyl 4,4-diphenylglutaconate (18), methyl 4,4-diphenyl-3-butenoate (19), phenylcinnamaldehyde (20), methyl 3-phenylcinnamate (21), and benzophenone (22) from 11; 3-hydroxy-2-methoxycoumarin (39), 2-carbomethoxy-2-hydroxy-3-coumaranone (40), 2-hydroxy-2-methyl-3-coumaranone (41), methyl o-hydroxyphenylglyoxylate (42), methyl salicylate (43), and catechol (44) from 35; and 2,4-dihydroxyspiro[5.5]undeca-1,4-dien-3-one (66), 2-hydroxyspiro[4.5]dec-1-en-3-one (70), dimethyl 1,1-cyclohexanediacetate (73), and dimethyl alpha-keto-1-[(methoxycarbonyl)methyl]cyclohexane (75) from 64], an overall analysis of the product distribution indicates that the basic elements of the reaction sequence are the same. The first step involves facile deprotonation and the concomitant generation of the reductone monoanion, a process which lends support to the suggestion of Afanas'ev and co-workers (Afanas'ev, I. B.; Grabovetskii, V. V.; Kuprianova, N. S. J. Chem. Sec. Perkin Trans. 2 1987, 281-285). Oxidation of this monoanion yields the corresponding triketone. Of the various options available to this polyketone, superoxide attack at the most electrophilic central carbonyl followed by oxidative cleavage and/or benzylic acid rearrangement are clearly the most prominent. These are followed by a variety of base catalyzed autoxidative processes which are highly dependent on the nature of the substrate.