ethyl (1,5,6,7-tetrahydro-1-phenyl-4H-indazol-4-ylidene)acetate | 118536-66-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl (1,5,6,7-tetrahydro-1-phenyl-4H-indazol-4-ylidene)acetate
• 英文别名: ethyl (2E)-2-(1-phenyl-6,7-dihydro-5H-indazol-4-ylidene)acetate
• CAS: 118536-66-6
• 化学式: C₁₇H₁₈N₂O₂
• 分子量: 282.342
• InChiKey: MSSUGERASFCLEN-ACCUITESSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl (1,5,6,7-tetrahydro-1-phenyl-4H-indazol-4-ylidene)acetate 以75%的产率得到
  参考文献：
  名称：

  MOSTI, L.;MENOZZI, G.;SCHENONE, P.;MOLINARIO, L.;CONTE, F.;MONTANARIO, C.+, FARMACO:ED. SCI., 43,(1988) N0, C. 763-774

  摘要：

  DOI：
• 作为产物：
  描述：

  1-苯基-6,7-二氢-1H-吲唑-4(5H)-酮 、 磷酰基乙酸三乙酯 、 sodium 以37%的产率得到
  参考文献：
  名称：

  MOSTI, L.;MENOZZI, G.;SCHENONE, P.;MOLINARIO, L.;CONTE, F.;MONTANARIO, C.+, FARMACO:ED. SCI., 43,(1988) N0, C. 763-774

  摘要：

  DOI：

文献信息

• Sigma receptor inhibitors
  申请人：Arjona Corbera Jordi

  公开号：US20060047127A1

  公开（公告）日：2006-03-02

  The invention relates to compounds having pharmacological activity towards the sigma receptor, and more particularly to some pyrazole derivatives, to processes of preparation of such compounds, to pharmaceutical compositions comprising them, and to their use therapy and prophylaxis, in particular for the treatment of psychosis or pain.

  本发明涉及具有对sigma受体的药理活性的化合物，更特别地涉及一些吡唑衍生物，制备这些化合物的过程，包含它们的制药组合物，以及它们在治疗和预防中的使用，尤其是用于治疗精神病或疼痛。
• Sigma Receptor Inhibitors
  申请人：Corbera Arjona Jordi

  公开号：US20070232585A1

  公开（公告）日：2007-10-04

  The invention relates to compounds having pharmacological activity towards the sigma receptor, and more particularly to pyrazole derivatives of formula (I) and to processes of preparation of such compounds, to pharmaceutical compositions comprising them, and to their use therapy and prophylaxis, in particular for the treatment of psychosis or pain.

  本发明涉及具有对sigma受体具有药理活性的化合物，更具体地涉及公式(I)的吡唑衍生物以及制备这些化合物的方法，包括它们的制药组合物，以及它们在治疗和预防中的应用，特别是用于治疗精神病或疼痛。
• SUBSTITUTED PYRAZOLE SIGMA RECEPTOR ANTAGONISTS
  申请人：CORBERA ARJONA Jordi

  公开号：US20110015183A1

  公开（公告）日：2011-01-20

  The invention relates to compounds having pharmacological activity towards the sigma receptor, and more particularly to pyrazole derivatives of formula I and to processes of preparation of such compounds, to pharmaceutical compositions comprising them, and to their use therapy and prophylaxis, in particular for the treatment of psychosis or pain.

  本发明涉及具有对sigma受体具有药理活性的化合物，更具体地涉及公式I的吡唑衍生物以及制备这些化合物的方法，包括它们的制药组合物，以及它们在治疗和预防方面的用途，特别是用于治疗精神病或疼痛。
• [EN] PROCESS FOR OBTAINING ENANTIOMERICALLY ENRICHED PYRAZOLE DERIVATIVES<br/>[FR] PROCÉDÉ D'OBTENTION DE DÉRIVÉS DU PYRAZOLE ENRICHIS EN ÉNANTIOMÈRES
  申请人：ESTEVE LABOR DR

  公开号：WO2010066829A1

  公开（公告）日：2010-06-17

  The present invention is directed to a process for the enantioselective hydrolysis of an ester of formula (I), which comprises reacting a mixture of C4-enantiomers of esters of formula (I), or salts thereof, with an esterase enzyme in the presence of a solvent. The invention is further directed to the transformation of said esters of formula (I) into enantiomerically enriched pyrazoles.

  本发明涉及一种手性选择性水解酯化合物(I)的方法，其中，在溶剂存在下，将酯化合物(I)的C4对映体混合物或其盐与酯酶酶反应。本发明还涉及将该化合物(I)转化为手性富集的吡唑化合物。
• Process for obtaining enantiomerically enriched pyrazole derivatives
  申请人：Laboratorios Del. Dr. Esteve, S.A.

  公开号：EP2196458A1

  公开（公告）日：2010-06-16

  The present invention is directed to a process for the enantioselective hydrolysis of an ester of formula (I), which comprises reacting a mixture of C4-enantiomers of esters of formula (I), or salts thereof, with an esterase enzyme in the presence of a solvent. The invention is further directed to the transformation of said esters of formula (I) into enantiomerically enriched pyrazoles.

  本发明涉及一种对映体选择性水解式（I）酯的工艺，该工艺包括在溶剂存在下，使式（I）酯或其盐的 C4-对映体混合物与酯酶反应。本发明进一步涉及将所述式（I）酯转化为对映体富集的吡唑。