methyl 2-phenylcarbazate | 788797-92-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methyl 2-phenylcarbazate
• 英文别名: 2-phenyl-carbazic acid methyl ester；2-Phenyl-carbazidsaeure-methylester；methyl 1-phenylhydrazinecarboxylate；1-phenylHydrazinecarboxylic acid methyl ester；methyl N-amino-N-phenylcarbamate
• CAS: 788797-92-2
• 化学式: C₈H₁₀N₂O₂
• 分子量: 166.18
• InChiKey: BIWXUHXQLBOYQI-UHFFFAOYSA-N

物化性质

• 熔点：
  71.5-73.0 °C(Solv: ethyl ether (60-29-7))
• 沸点：
  258.3±23.0 °C(Predicted)
• 密度：
  1.234±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  55.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 2-phenylcarbazate 在 盐酸 作用下， 以 甲醇 为溶剂， 生成 methyl 1-phenylhydrazinecarboxylate hydrochloride
  参考文献：
  名称：

  [EN] QUINOLINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS
  [FR] DERIVES DE QUINOLINE SERVANT D'ANTAGONISTES DE RECEPTEURS DE NEUROKININE

  摘要：

  公开号：

  WO2006013393A3
• 作为产物：
  描述：

  1-methyl 2-phenylmethyl 1-phenyl-1,2-hydrazinedicarboxylate 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 生成 methyl 2-phenylcarbazate
  参考文献：
  名称：

  N′,2-Diphenylquinoline-4-carbohydrazide based NK3 receptor antagonists

  摘要：

  A new class of potent NK3R antagonists based on the N,2-diphenylquinoline-4-carbohydrazide core is described. In an ex vivo assay in gerbil, the lead compound 2g occupies receptors within the CNS following oral dosing (Occ(90) 30 mg/kg po; plasma Occ(90) 0.95 mu M) and has good selectivity and promising PK properties. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.08.086

文献信息

• Reaction of the Ambident Electrophile Dimethyl Carbonate with the Ambident Nucleophile Phenylhydrazine
  作者：Anthony E. Rosamilia、Fabio Aricò、Pietro Tundo

  DOI：10.1021/jo701818d

  日期：2008.2.1

  To explore the ambident electrophilic reactivity of dimethyl carbonate (DMC), reactions with the ambident nucleophile phenylhydrazine were investigated. When a Brönsted base was used, selective carboxymethylation occurred at N-1, after that several other compounds were produced selectively utilizing various conditions. Formation of these compounds was explained by using the Hard−Soft Acid−Base (HSAB)

  为了探索碳酸二甲酯（DMC）的亲电反应性，研究了与亲核亲核苯肼的反应。当使用布朗斯台德碱时，选择性的羧甲基化在N-1发生，此后利用各种条件选择性地产生了几种其他化合物。这些化合物的形成通过使用硬软酸碱（HSAB）理论进行了解释。某些金属盐的催化作用改变了苯肼的反应性，从而影响了苯肼在N-2处的选择性羧甲基化。
• Phosphonate compounds having immuno-modulatory activity
  申请人：Cannizzaro Carina

  公开号：US20060035866A1

  公开（公告）日：2006-02-16

  The invention is related to phosphonate substituted compounds having immuno-modulatory activity, compositions containing such compounds, and therapeutic methods that include the administration of such compounds, as well as to processes and intermediates useful for preparing such compounds.

  本发明涉及磷酸酯取代化合物，具有免疫调节活性，包含这种化合物的组合物，以及包括这种化合物的管理方法，以及用于制备这种化合物的有用过程和中间体。
• Anti-inflammatory phosphonate compounds
  申请人：Cannizzaro Carina

  公开号：US20060199788A1

  公开（公告）日：2006-09-07

  The invention is related to phosphorus substituted anti-inflammatory compounds, compositions containing such compounds, and therapeutic methods that include the administration of such compounds, as well as to processes and intermediates useful for preparing such compounds.

  该发明涉及磷取代的抗炎化合物、含有这些化合物的组合物、包括这些化合物的给药治疗方法，以及用于制备这些化合物的过程和中间体。
• PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY
  申请人：Cannizzaro Carina

  公开号：US20090227543A1

  公开（公告）日：2009-09-10

  The invention is related to phosphonate substituted compounds having immuno-modulatory activity, compositions containing such compounds, and therapeutic methods that include the administration of such compounds, as well as to processes and intermediates useful for preparing such compounds.

  本发明涉及磷酸酯取代化合物，具有免疫调节活性，含有这种化合物的组合物，以及包括这种化合物的给药的治疗方法，还涉及用于制备这种化合物的有用过程和中间体。
• ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS
  申请人：Cannizzaro Carina

  公开号：US20090247488A1

  公开（公告）日：2009-10-01

  The invention is related to phosphorus substituted anti-inflammatory compounds, compositions containing such compounds, and therapeutic methods that include the administration of such compounds, as well as to processes and intermediates useful for preparing such compounds.

  本发明涉及磷取代的抗炎化合物、含有这种化合物的组合物、包括给药这种化合物的治疗方法，以及用于制备这种化合物的有用过程和中间体。