N,N-Dimethyl-cyclononyl-methylamin | 91688-75-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N-Dimethyl-cyclononyl-methylamin
• 英文别名: N,N-Dimethylaminomethyl-cyclononan；1-cyclononyl-N,N-dimethylmethanamine
• CAS: 91688-75-4
• 化学式: C₁₂H₂₅N
• 分子量: 183.337
• InChiKey: RJSYODJPJJYQMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N,N-Dimethyl-cyclononyl-methylamin 在 双氧水 作用下， 以 甲醇 为溶剂， 生成 (N,N-Dimethyl-N-oxo-aminomethyl)-cyclononan
  参考文献：
  名称：

  Amine Oxides. VIII. Medium-sized Cyclic Olefins from Amine Oxides and Quaternary Ammonium Hydroxides^1,2

  摘要：

  Thermal decompositions of the N-oxides derived from N,N-dimethyl-1-methylcycloalk,lamines II having eight-, nine- and ten-membered rings yield olefin mixtures containing 98.6, 94.0 and 97.5%, respectively, of 1-methylcycloalkenes. Considerable amounts of the trans isomers are formed from the nine- and ten-membered N-oxides. Pyrolyses of the corresponding quaternary hydroxides produce mixtures of methylenecycloalkanes and 1-methylcycloalkenes (predominantly cis), violation of the Hofmann rule being at a maximum in the decomposition of the nine-membered quaternary hydroxide. Importance of relative product stabilities and the operation of non-bonded interactions are discussed as possible explanations for the observed directions of elimination. Thermal decompositions of the N-oxides and quaternary hydroxides of dimethylcycloalkvimethylamines IV containing eight-, nine- and ten-membered rings proceed as expected with formation of the corresponding methylenecycloalkanes.

  DOI：

  10.1021/ja01502a053
• 作为产物：
  描述：

  Cyclononylcarbonsaeure 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 生成 N,N-Dimethyl-cyclononyl-methylamin
  参考文献：
  名称：

  Contraction of Medium Size Rings¹

  摘要：

  DOI：

  10.1021/ja01483a012

文献信息

• AROMATIC COMPOUNDS
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP1773797A2

  公开（公告）日：2007-04-18
• MEDICINAL DRUG
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP1957073A2

  公开（公告）日：2008-08-20
• [EN] AROMATIC COMPOUND<br/>[FR] COMPOSE AROMATIQUE
  申请人：OTSUKA PHARMA CO LTD

  公开号：WO2006014012A2

  公开（公告）日：2006-02-09

  The present invention provides a novel compound, which has an excellent effect of suppressing the generation of collagen and less side effects, with being excellent in terms of safety. The compound of the present invention is represented by the following general formula (1): [wherein X1 represents a nitrogen atom or a group -CH=; R1 represents a group -Z-R6, wherein Z represents a group -CO-, a group -CH(OH)-, or the like, and R6 represents a 5- to 15-membered monocyclic, dicyclic, or tricyclic, saturated or unsaturated heterocyclic group having 1 to 4 nitrogen atoms, oxygen atoms, or sulfur atoms; R2 represents a hydrogen atom, a halogen atom or a lower alkylene group; Y represents a group -O-, a group -CO-, a group -CH(OH)-, a lower alkylene group, or the like; and (A) represents a group or the like, wherein R3 represents a hydrogen atom, a lower alkoxy group, or the like, p represents 1 or 2, and R4 represents an imidazolyl lower alkyl group or the like.
• [EN] MEDICINAL DRUG<br/>[FR] SUBSTANCE MEDICAMENTEUSE
  申请人：OTSUKA PHARMA CO LTD

  公开号：WO2007066784A2

  公开（公告）日：2007-06-14

  [EN] An object of the present invention is to provide a medicinal drug much improved in anti tumor activity and excellent in safety. According to the present invention, there is provided a medicinal drug containing a compound represented by the following general formula (1) or a salt thereof as an active ingredient: [Formula 1] wherein X₁ represents a nitrogen atom or a group -CH=, R¹ represents a group -Z-R⁶, in which Z represents a group -CO-, a group -CH(OH)- or the like, R⁶ represents a 5- to 15-membered monocyclic, dicyclic or tricyclic saturated or unsaturated heterocyclic group having 1 to 4 nitrogen atoms, oxygen atoms or sulfur atoms, R² represents a hydrogen atom or a halogen atom, Y represents a group -O-, a group -CO-, a group -CH(OH)- or a lower alkylene group, and A represents [Formula 2] wherein R³ represents a hydrogen atom, a lower alkoxy group or the like, p represents 1 or 2, R⁴ represents an imidazolyl lower alkyl group or the like.
  [FR] La présente invention concerne une substance médicamenteuse nettement améliorée en termes d'activité antitumorale et ne présentant aucun risque. Selon la présente invention, il est prévu un médicament contenant un composé de formule générale (1), dans laquelle X₁ représente un atome d'azote ou un groupe -CH=; R¹ représente un groupe -Z-R⁶, dans lequel Z représente un groupe -CO-, un groupe -CH(OH)- ou analogue; R⁶ représente un groupe monocyclique, bicyclique ou tricyclique de 5 à 15 chaînons ou un groupe hétérocyclique ayant 1 à 4 atomes d'azote, atomes d'oxygène ou atomes de soufre; R² représente un atome d'hydrogène ou un atome d'halogène; Y représente un groupe -O-, un groupe -CO-, un groupe -CH(OH)- ou un groupe alkylène inférieur; et A représente la formule (2), où R³ représente un atome d'hydrogène, un groupe alcoxy inférieur ou analogue; p représente 1 ou 2; R⁴ représente un groupe alkyle inférieur d'imidazolyle ou analogue; ainsi qu'un sel de celui-ci comme principe actif.
• Contraction of Medium Size Rings¹
  作者：A. T. Blomquist、F. W. Schlaefer

  DOI：10.1021/ja01483a012

  日期：1961.11