N,N-Dimethyl-cyclooctyl-methylamin | 100534-96-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N-Dimethyl-cyclooctyl-methylamin
• 英文别名: 1-cyclooctyl-N,N-dimethylmethanamine
• CAS: 100534-96-1
• 化学式: C₁₁H₂₃N
• 分子量: 169.31
• InChiKey: MLNLOSZVBDESDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  12
• 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-cyclooctyl-methylamin 在 双氧水 作用下， 以 甲醇 为溶剂， 生成 N,N-Dimethyl-cyclooctyl-methylamin-N-oxyd
  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：

  环辛烷羰基氯化物 在 lithium aluminium tetrahydride 作用下， 生成 N,N-Dimethyl-cyclooctyl-methylamin
  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

文献信息

• TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF ROR-GAMMA-T
  申请人：Janssen Pharmaceutica N.V.

  公开号：EP3354651A1

  公开（公告）日：2018-08-01

  The present invention comprises compounds of Formula I. wherein: X, A1, A2, A3, A4, R1, R2, and R3 are defined in the specification. The invention also comprises a method of treating or ameliorating a syndrome, disorder or disease, wherein said syndrome, disorder or disease is rheumatoid arthritis or psoriasis. The invention also comprises a method of modulating RORyt activity in a mammal by administration of a therapeutically effective amount of at least one compound of claim 1.

  本发明包括式 I 的化合物。 其中 X、A1、A2、A3、A4、R1、R2 和 R3 在说明书中定义。 本发明还包括一种治疗或改善综合征、紊乱或疾病的方法，其中所述综合征、紊乱或疾病为类风湿性关节炎或银屑病。本发明还包括一种通过施用治疗有效量的至少一种权利要求 1 的化合物来调节哺乳动物体内 RORyt 活性的方法。
• US7205311B2
  申请人：——

  公开号：US7205311B2

  公开（公告）日：2007-04-17
• US7300930B2
  申请人：——

  公开号：US7300930B2

  公开（公告）日：2007-11-27
• Amine Oxides. VIII. Medium-sized Cyclic Olefins from Amine Oxides and Quaternary Ammonium Hydroxides^1,2
  作者：Arthur C. Cope、Engelbert Ciganek、Charles F. Howell、Edward E. Schweizer

  DOI：10.1021/ja01502a053

  日期：1960.9

  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.