1-Methyl-4-tert-butyl-cyclohexan-carbonsaeure-(1) | 7112-13-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 1-Methyl-4-tert-butyl-cyclohexan-carbonsaeure-(1)
• 英文别名: 4-tert-butyl-1-methyl-1-cyclohexanecarboxlic acid；4-tert-butyl-1-methylcyclohexane-1-carboxylic acid
• CAS: 7112-13-2
• 化学式: C₁₂H₂₂O₂
• 分子量: 198.305
• InChiKey: YNCDKLHCNIQGGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-Methyl-4-tert-butyl-cyclohexan-carbonsaeure-(1) 在 N,N-二甲基甲酰胺 草酰氯 、 sodium carbonate 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 19.0h， 生成 (S)-3-(4'-tert-butyl-1'-methyl-cyclohexanecarbonyl)aminocaprolactam
  参考文献：
  名称：

  WO2006/134384

  摘要：

  公开号：
• 作为产物：
  描述：

  1-(4-tert-butyl-1-methylcyclohexyl)-4-methoxybenzene 以62%的产率得到
  参考文献：
  名称：

  ODINOKOV V. N.; ISHMURATOV G. YU.; TOLSTIKOV G. A., IZV. AN CCP. CEP. XIM., 1979, HO 9, 2146-2148

  摘要：

  DOI：

文献信息

• [EN] CATALYTICS ASYMMETRIC ACTIVATION OF UNACTIVATED C-H BONDS, AND COMPOUNDS RELATED THERETO<br/>[FR] ACTIVATION CATALYTIQUE ASYMETRIQUE DE LIAISONS C-H INACTIVEES ET COMPOSES ASSOCIES
  申请人：UNIV BRANDEIS

  公开号：WO2006026053A1

  公开（公告）日：2006-03-09

  One aspect of the present invention is directed in part to catalytic and stereoselective functionalization of unactivated C-H bonds of simple organic substrates. The compounds and methods provided herein allow one to control the stereochemistry in a C-H activation step, activate substrates containing α-hydrogens next to the directing group, and remove a directing group under mild conditions. One aspect of the present invention relates to a transition-metal-catalyzed method for selective and asymmetric oxidation of carbons located in a β- or Ϝ-position relative to an auxiliary. Another aspect of the invention relates to the enantiomerically-enriched substrates and the enantiomerically-enriched products formed via said method. In certain embodiments, oxazoline and oxazinone directing groups are used. In addition, the Boc protecting group has been identified as a directing group which does not necessitate removal.

  本发明的一个方面部分涉及简单有机底物中未活化C-H键的催化和对映选择性官能团化。本发明提供的化合物和方法允许在C-H活化步骤中控制立体化学，活化含有邻近导向基团的α-氢的底物，并在温和条件下移除导向基团。本发明的另一方面涉及一种过渡金属催化的方法，用于选择性和非对称氧化位于辅助基团β-或Ϝ-位置上的碳。发明的另一个方面涉及通过所述方法形成的对映体富集的底物和对映体富集的产品。在某些实施例中，使用了恶唑啉和恶嗪酮导向基团。此外，Boc保护基团被识别为不需要移除的导向基团。
• [EN] SUBSTITUTED AMINOTHIAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE<br/>[FR] DÉRIVÉS D'AMINOTHIAZOLE SUBSTITUÉS, COMPOSITIONS PHARMACEUTIQUES ET LEURS PROCÉDÉS D'UTILISATION
  申请人：TRANSTECH PHARMA INC

  公开号：WO2010025142A1

  公开（公告）日：2010-03-04

  Substituted aminothiazole derivatives, methods of their preparation, pharmaceutical compositions comprising a substituted aminothiazole, and methods of use in treating human or animal disorders. The compounds may be useful as inhibitors of action of AgRP on a melanocortin receptor and thus may be useful for the management, treatment, control, or the adjunct treatment of diseases which may be responsive to the modulation of melanocortin receptors including obesity-related disorders.

  替代氨基噻唑衍生物，其制备方法，含有替代氨基噻唑的药物组合物，以及在治疗人类或动物疾病中的使用方法。这些化合物可能作为AgRP对黑色素皮质素受体作用的抑制剂而有用，因此可能有助于管理、治疗、控制或辅助治疗对黑色素皮质素受体调节敏感的疾病，包括与肥胖相关的疾病。
• Anti-Inflammatory Agents
  申请人：Grainger David J.

  公开号：US20100016286A1

  公开（公告）日：2010-01-21

  The invention provides compounds, pharmaceutical compositions and uses of compounds and salts thereof of general formula (I), for the preparation of a medicament for treatment of an inflammatory disorder, but excluding (S)-3-(r-methylcyclohexyl-carbonylamino)-caprolactam: wherein z is 1, 2, 3 or 4; A is —CO— or —SO2-; Q is linear or branched alkyl, alkenyl, alkynyl, alkoxy, oxyalkyl, aminoalkyl, alkylamino, alkylaminoalkyl, haloalkyl, aryl or substituted aryl; T 1 and T 2 together constitute a cycloalkyl, cycloalkenyl or polycycloalkyl radical composed of n additional carbon atoms, where n is between 2 and 7; and each hydrogen atom bonded to the carbon atoms in the ring generated by T 1 and T 2 may be independently be substituted by a group R 1 , where R 1 is independently selected from an alkyl, haloalkyl, alkoxy, haloalkoxy, alkenyl, alkynyl or alkylamino radical of 1 to 20 carbon atoms; or each R 1 is independently selected from fluoro, chloro, bromo, iodo, hydroxy, oxyalkyl, amino, aminoalkyl or aminodialkyl radical.

  本发明提供了一般式(I)的化合物、药物组合物及其盐的用途，用于制备治疗炎症性疾病的药物，但不包括(S)-3-(r-甲基环己烷甲酰氨基)-己内酯：其中，z为1、2、3或4；A为—CO—或—SO2-；Q为线性或支链烷基、烯基、炔基、烷氧基、氧烷基、氨基烷基、烷基氨基、烷基氨基烷基、卤代烷基、芳基或取代芳基；T1和T2共同构成由n个额外碳原子组成的环状烷基、环状烯基或多环烷基基团，其中n介于2和7之间；并且，T1和T2生成的环上的每个碳原子上的氢原子可以独立地被取代为R1基团，其中R1独立地选自具有1到20个碳原子的烷基、卤代烷基、烷氧基、卤代烷氧基、烯基、炔基或烷基氨基基团；或每个R1独立地选自氟、氯、溴、碘、羟基、氧烷基、氨基、氨基烷基或氨基二烷基基团。
• Substituted Aminothiazole Derivatives, Pharmaceutical Compositions, And Methods Of Use
  申请人：Mjalli Adnan M. M.

  公开号：US20100056587A1

  公开（公告）日：2010-03-04

  Substituted aminothiazole derivatives, methods of their preparation, pharmaceutical compositions comprising a substituted aminothiazole, and methods of use in treating human or animal disorders. The compounds may be useful as inhibitors of action of AgRP on a melanocortin receptor and thus may be useful for the management, treatment, control, or the adjunct treatment of diseases which may be responsive to the modulation of melanocortin receptors including obesity-related disorders.

  替代氨噻唑衍生物，其制备方法，含有替代氨噻唑的药物组合物，以及在治疗人类或动物疾病中使用的方法。这些化合物可能有用作为AgRP对黑色素皮质素受体的作用抑制剂，因此可能有用于管理、治疗、控制或辅助治疗可能对黑色素皮质素受体调节敏感的疾病，包括与肥胖相关的疾病。
• ANTI-INFLAMMATORY AGENTS
  申请人：Cambridge Enterprise Limited

  公开号：EP1896036B1

  公开（公告）日：2013-01-23