2,2-dimethylcycloheptanone | 7228-52-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,2-dimethylcycloheptanone
• 英文别名: 2,2-dimethylcycloheptan-1-one；2,2-dimethyl-cycloheptanone；2,2-Dimethyl-cycloheptanon；2,2-Dimethylcycloheptan-1-on；2,2-Dimethylcycloheptanon
• CAS: 7228-52-6
• 化学式: C₉H₁₆O
• 分子量: 140.225
• InChiKey: UJALODPLYNRSNS-UHFFFAOYSA-N

物化性质

• 沸点：
  190 °C
• 密度：
  0.881±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,2-dimethylcycloheptanone 在 sodium hypobromide 、 三氯化磷 作用下， 生成 1-甲基环己烷羰基氯化物
  参考文献：
  名称：

  Meerwein; Schaefer, Journal fur praktische Chemie (Leipzig 1954), 1922, vol. <2> 104, p. 306

  摘要：

  DOI：
• 作为产物：
  描述：

  1-(2-Methylselanylpropan-2-yl)cyclohexan-1-ol 在 aluminum oxide 、 silver tetrafluoroborate 作用下， 反应 2.5h， 以68%的产率得到2,2-dimethylcycloheptanone
  参考文献：
  名称：

  环酮扩环的新方法

  摘要：

  公开了允许环酮环扩大的简单的两步方法，其利用了α-硒烷基锂对羰基化合物的高亲核性和在所得β-羟基硒化物上发生的新的转座反应。

  DOI：

  10.1016/s0040-4039(00)87000-8

文献信息

• [EN] OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE<br/>[FR] LIGANDS LIANT L'OPSINE, COMPOSITIONS ET PROCÉDÉS D'UTILISATION
  申请人：BIKAM PHARMACEUTICALS INC

  公开号：WO2013081642A1

  公开（公告）日：2013-06-06

  Compounds and compositions are disclosed that are useful for treating ophthalmic conditions caused by or related to production of toxic visual cycle products that accumulate in the eye, such as dry adult macular degeneration, as well as conditions caused by or related to the misfolding of mutant opsin proteins and/or the mis-localization of opsin proteins. Compositions of these compounds alone or in combination with other therapeutic agents are also described, along with therapeutic methods of using such compounds and/or compositions. Methods of synthesizing such agents are also disclosed.

  揭示了用于治疗由于或与在眼睛中积聚的有毒视觉循环产物有关的眼科疾病的化合物和组合物，例如干性成人黄斑变性，以及由于或与突变视蛋白的错误折叠和/或视蛋白的错误定位有关的疾病。还描述了这些化合物单独或与其他治疗剂的组合物，以及使用这些化合物和/或组合物的治疗方法。还揭示了合成这些药剂的方法。
• [EN] OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE<br/>[FR] LIGANDS DE LIAISON AUX OPSINES, COMPOSITIONS ET PROCÉDÉS D'UTILISATION
  申请人：BIKAM PHARMACEUTICALS INC

  公开号：WO2013082000A1

  公开（公告）日：2013-06-06

  Compounds are disclosed that are useful for treating ophthalmic conditions caused by or related to production of toxic visual cycle products that accumulate in the eye, such as dry adult macular degeneration, as well as conditions caused by or related to the misfolding of mutant opsin proteins and/or the mis-localization of opsin proteins. Compositions of these compounds alone or in combination with other therapeutic agents are also described, along with therapeutic methods of using such compounds and/or compositions. Methods of synthesizing such agents are also disclosed.

  披露了一些化合物，这些化合物对治疗由于或与在眼睛中积累的有毒视觉循环产物有关的眼科疾病非常有用，例如干性成人黄斑变性，以及由于或与突变视蛋白的错误折叠和/或视蛋白的错误定位有关的疾病。还描述了这些化合物单独或与其他治疗剂联合使用的组合物，以及使用这些化合物和/或组合物的治疗方法。还披露了合成这些药剂的方法。
• [EN] 2 -AMINO- 1, 8 -NAPHTHYRIDINE-3 -CARBOXAMIDE DERIVATIVES AS ANTIMICROBIAL AGENTS<br/>[FR] DÉRIVÉS DE 2-AMINO-1,8-NAPHTYRIDINE-3-CARBOXAMIDE UTILISÉS COMME AGENTS ANTIMICROBIENS
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2013072882A1

  公开（公告）日：2013-05-23

  The present invention concerns novel 2-amino-1,8-naphthyridine-3-carboxamide derivatives of formula I, a pharmaceutical antibacterial composition containing them and the use of these compounds in the manufacture of a medicament for the treatment of infections (e.g. bacterial infections). These compounds are useful antimicrobial agents effective against a variety of human and veterinary pathogens including among others Gram-positive and Gram-negative aerobic and anaerobic bacteria.

  本发明涉及公式I的新型2-氨基-1,8-萘啶-3-甲酰胺衍生物，包含它们的药用抗菌组合物以及利用这些化合物制造用于治疗感染（例如细菌感染）的药物。这些化合物是有用的抗微生物药剂，对包括革兰氏阳性和阴性需氧菌和厌氧菌在内的各种人类和兽医病原体具有有效作用。
• Regiochemistry of the ring expansion of unsymmetrically substituted ketones involving β-hydroxyalkylselenides
  作者：A. Krief、J.L. Laboureur

  DOI：10.1016/s0040-4039(01)81038-8

  日期：1987.1

  β-hydroxyalkylselenides derived from unsymmetrically substituted ketones have been rearranged to substituted ketones in the presence of soft electrophiles such as silver tetrafluoraborate or dichlorocarbenes. Although the migration of the more substituted carbon often prevails, subtle variations have been observed depending upon the structure of the starting material and the experimental conditions

  在柔软的亲电子试剂（如四氟硼酸银或二氯卡宾）的存在下，衍生自不对称取代的酮的β-羟烷基硒化物已重排为取代的酮。尽管取代度较高的碳通常会迁移，但根据原料的结构和所用的实验条件，已观察到细微的变化。
• Electrochemical fluorinative α-cleavage of cyclic ketones. synthesis of fluorocarboxylic acid esters
  作者：Shoji Hara、Sheng-Qi Chen、Tsuyoshi Hatakeyama、Tsuyoshi Fukuhara、Manabu Sekiguchi、Norihiko Yoneda

  DOI：10.1016/0040-4039(95)01308-5

  日期：1995.9

  The electrochemical oxidation of 2,2-disubstituted cyclic ketones was carried out using Et3N-5HF as the electrolyte. The selective cleavage of the carbon-carbon bond between the carbonyl carbon and substituted α-carbon took place and fluorocarboxylic acid esters (2) were obtained in good yields after the esterification of the resulting fluoroacyl fluorides (1).

  使用Et 3 N-5HF作为电解质进行2，2-二取代的环酮的电化学氧化。在羰基碳和取代的α-碳之间发生碳-碳键的选择性裂解，并且在将所得的氟代酰氟（1）酯化之后，以良好的产率获得了氟代羧酸酯（2）。