1,1-dimethylethyl 1-methyl-2-(1-methylethylidene)hydrazinecarboxylate | 400819-84-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1,1-dimethylethyl 1-methyl-2-(1-methylethylidene)hydrazinecarboxylate
• 英文别名: 1,1-dimethylethyl 1-methyl-2-(1-methylethylidene)-hydrazinecarboxylate；1,1-dimethylethyl 1-methyl-2-(1methylethylidene)-hydrazinecarboxylate；1,1-Dimethylethyl 1-methyl-2-(1 methylethylidene)-hydrazinecarboxylate；tert-butyl N-methyl-N-(propan-2-ylideneamino)carbamate
• CAS: 400819-84-3
• 化学式: C₉H₁₈N₂O₂
• 分子量: 186.254
• InChiKey: AJYVQHMDSZPLAP-UHFFFAOYSA-N

物化性质

• 沸点：
  224.0±23.0 °C(Predicted)
• 密度：
  0.94±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  41.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,1-dimethylethyl 1-methyl-2-(1-methylethylidene)hydrazinecarboxylate 在 sodium cyanoborohydride 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 生成 1-methyl-2-(1-methylethyl)hydrazinecarboxylic acid, 1,1-dimethylethyl ester
  参考文献：
  名称：

  Azadepsipeptides:  Synthesis and Evaluation of a Novel Class of Peptidomimetics

  摘要：

  A general route to azadepsipeptides, a new class of pseudopeptides, has been established. The methodology was applied to the synthesis of a bis-aza analogue of the antiparasitic cyclooctadepsipeptide PF1022A. Comparison of the X-ray crystal structures of natural PF1022A (8) and the chimeric aza analogue 9 revealed that the introduction of nitrogen in the backbone of PF1022A results in almost complete conservation of the 3D structure with only minor deviations at the new nitrogen positions.

  DOI：

  10.1021/jo001749v
• 作为产物：
  描述：

  1-Boc-1-甲基肼 、 丙酮 在 sodium acetate 、 溶剂黄146 作用下， 以 乙醚 为溶剂， 生成 1,1-dimethylethyl 1-methyl-2-(1-methylethylidene)hydrazinecarboxylate
  参考文献：
  名称：

  [EN] 7-PYRAZOLYLBENZAZEPINES HAVING AFFINITY FOR D3 RECEPTOR
  [FR] 7-PYRAZOLYLBENZAZEPINES PRESENTANT UNE AFFINITE POUR LE RECEPTEUR D3

  摘要：

  公式（I）的化合物或其盐已被披露（I）：其中R1是嘧啶基，其上独立选择的两个或三个取代基分别来自卤素、C1-4烷基和卤代C1-4烷基；R2是氢或甲基；R3是喹啉基、噁唑基或苯基，每个基上可选择地取代一个或两个卤素、C1-4烷基或卤代C1-4烷基。还披露了制备这些化合物的方法以及在医学上的用途，例如用于治疗精神分裂症或药物依赖症。

  公开号：

  WO2005123717A1

文献信息

• [EN] TETRAHYDROBENZAZEPINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS)<br/>[FR] DERIVES DE TETRAHYDROBENZAZEPINE COMME MODULATEURS DE RECEPTEURS D3 DE LA DOPAMINE (AGENTS ANTIPSYCHOTIQUES)
  申请人：GLAXO GROUP LTD

  公开号：WO2005087764A1

  公开（公告）日：2005-09-22

  The present invention relates to novel compounds of formula (I) or a pharmaceutically acceptable salt thereof, processes for their preparation, intermediates used in these processes, pharmaceutical compositions containing them and their use in therapy, as modulators of dopamine D3 receptors, e.g. as agents to treat various aspects drug dependency or as antipsychotic agents.

  本发明涉及公式（I）的新化合物或其药用盐，其制备方法，用于这些方法的中间体，含有它们的药物组合物以及它们作为多巴胺D3受体调节剂在治疗中的用途，例如作为治疗各种药物依赖方面的药物或作为抗精神病药物。
• Regioselective synthesis of 1,3,5- and 1,3,4,5-substituted pyrazoles via acylation of N-Boc-N-substituted hydrazones
  作者：Alessandro Tinarelli、Paolo Righi、Goffredo Rosini、Daniele Andreotti、Roberto Profeta、Simone Spada

  DOI：10.1016/j.tet.2010.11.057

  日期：2011.1

  Acylation of N-Boc-N-methylhydrazones followed by TFA treatment affords regioselective access to substituted pyrazoles. Both regioisomers of 1-methyl-3,5-disubstituted-1H-pyrazoles can be selectively obtained. This procedure can also be employed for the regioselective preparation of fully substituted 1H-pyrazoles.

  酰化Ñ -Boc- Ñ -methylhydrazones接着TFA处理，得到取代的吡唑区域选择性访问。可以选择性地获得1-甲基-3,5-二取代-1H-吡唑的两种区域异构体。该方法也可用于区域选择性制备完全取代的1 H-吡唑。
• Regioselective Preparation of <i>N</i>-Methylpyrazole Derivative
  作者：Daniele Andreotti、Roberto Profeta、Mario Mattioli、Fabrizio Micheli、Elisa Piga、Simone Spada、Luca Tarsi

  DOI：10.1055/s-2008-1078278

  日期：——

  A novel high-yielding and regioselective method to prepare N-methylpyrazole derivative is reported, by reaction of an N-Boc- and N-Me-substituted hydrazone with an aromatic alkyl ester.

  报道了一种通过 N-Boc 和 N-Me 取代的腙与芳香烷基酯反应制备 N-甲基吡唑衍生物的高产率和区域选择性的新方法。
• Tetrahydrobenzazepine Derivatives as Modulators of Dopamine D3 Receptors (Antipsychotic Agents)
  申请人：Arista Luca

  公开号：US20080139532A1

  公开（公告）日：2008-06-12

  The present invention relates to novel compounds of formula (I) or a pharmaceutically acceptable salt thereof, processes for their preparation, intermediates used in these processes, pharmaceutical compositions containing them and their use in therapy, as modulators of dopamine D 3 receptors, e.g. as agents to treat various aspects drug dependency or as antipsychotic agents.

  本发明涉及公式(I)的新化合物或其药学上可接受的盐，其制备方法，用于这些制备的中间体，含有它们的制药组合物以及它们作为多巴胺D3受体调节剂的治疗用途，例如作为治疗各种药物依赖或作为抗精神病药物的药物。
• 7-Pyrazolylbenzazepines Having Affinity For D3 Receptor
  申请人：Hamprecht Dieter

  公开号：US20080312213A1

  公开（公告）日：2008-12-18

  Compounds of formula (I) or a salt thereof are disclosed: wherein R 1 is pyrazolyl substituted by two or three substituents independently selected from halogen, C 1-4 alkyl and haloC 1-4 alkyl; R 2 is hydrogen or methyl; and R 3 is quinolinyl, oxazolyl or phenyl, each of which is optionally substituted by one or two halogen, C 1-4 alkyl or haloC 1-4 alkyl. Processes for preparation and uses of the compounds in medicine, for example for the treatment of schizophrenia or drug dependency, are also disclosed.

  公开了化合物公式（I）或其盐：其中，R1是吡唑基，其被两个或三个独立选择的取代基取代，所述取代基选择自卤素、C1-4烷基和卤代C1-4烷基；R2是氢或甲基；R3是喹啉基、噁唑基或苯基，每个基都可以被一个或两个卤素、C1-4烷基或卤代C1-4烷基取代。还公开了制备该化合物的方法以及在医学上使用该化合物的用途，例如用于治疗精神分裂症或药物依赖症。