3,5-dimethyl-pyrazole-1-carboxylic acid benzyl ester | 91806-74-5

• 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: 3,5-dimethyl-pyrazole-1-carboxylic acid benzyl ester
• 英文别名: Benzyl 3,5-dimethylpyrazole-1-carboxylate
• CAS: 91806-74-5
• 化学式: C₁₃H₁₄N₂O₂
• 分子量: 230.266
• InChiKey: NSZQESVAWUNKBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 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：

  3,5-dimethyl-pyrazole-1-carboxylic acid benzyl ester 在 ammonium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以71%的产率得到氨基甲酸苄酯
  参考文献：
  名称：

  New facile alkoxycarbonylating agent, alkyl pyrazole-1-carboxylates. The preparation and the utilities

  摘要：

  Alkyl pyrazole-1-carboxylates (2), which were readily prepared from alkyl chloroformate or carbazate in good yields, were provided as the new facile alkoxycarbonylating agents toward the Grignard reagents for the synthesis of one carbon higher carboxylic esters. Also amines were alkoxycarbonylated by 2 to produce the corresponding urethanes even in an aqueous medium. Benzyl 3,5-dimethylpyrazole-1-carboxylate (2d) could be utilized for the Cbz-protection of amino acids and esters in good yield without any racemization. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00947-8
• 作为产物：
  描述：

  3,5-二甲基吡唑 、 氯甲酸苄酯 在 三乙胺 作用下， 以 甲苯 为溶剂， 反应 1.0h， 以60%的产率得到3,5-dimethyl-pyrazole-1-carboxylic acid benzyl ester
  参考文献：
  名称：

  New facile alkoxycarbonylating agent, alkyl pyrazole-1-carboxylates. The preparation and the utilities

  摘要：

  Alkyl pyrazole-1-carboxylates (2), which were readily prepared from alkyl chloroformate or carbazate in good yields, were provided as the new facile alkoxycarbonylating agents toward the Grignard reagents for the synthesis of one carbon higher carboxylic esters. Also amines were alkoxycarbonylated by 2 to produce the corresponding urethanes even in an aqueous medium. Benzyl 3,5-dimethylpyrazole-1-carboxylate (2d) could be utilized for the Cbz-protection of amino acids and esters in good yield without any racemization. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00947-8

文献信息

• [EN] N-LINKED MACROCYCLIC 7-(PYRAZOL-5-YL)-INDOLE DERIVATIVES AS INHIBITORS OF MCL-1<br/>[FR] DÉRIVÉS DE 7-(PYRAZOL-5-YL)-INDOLE À LIAISON N EN TANT QU'INHIBITEURS DE MCL-1
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2021255257A1

  公开（公告）日：2021-12-23

  The present invention relates to pharmaceutical agents useful for therapy and/or prophylaxis in a subject, pharmaceutical composition comprising such compounds, and their use as MCL-1 inhibitors, useful for treating diseases such as cancer.

  本发明涉及用于治疗和/或预防受试者的药物剂，包括这些化合物的药物组合物，以及它们作为MCL-1抑制剂的用途，用于治疗癌症等疾病。
• [EN] N-LINKED MACROCYCLIC 4-(PYRAZOL-5-YL)-INDOLE DERIVATIVES AS INHIBITORS OF MCL-1<br/>[FR] DÉRIVÉS DE 4-(PYRAZOL-5-YL)-INDOLE MACROCYCLIQUES À LIAISON N UTILES EN TANT QU'INHIBITEURS DE MCL-1
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2021255258A1

  公开（公告）日：2021-12-23

  The present invention relates to pharmaceutical agents useful for therapy and/or prophylaxis in a subject, pharmaceutical composition comprising such compounds, and their use as MCL-1 inhibitors, useful for treating diseases such as cancer.

  本发明涉及用于治疗和/或预防受试者的药物制剂，包括这类化合物的药物组合物，以及它们作为MCL-1抑制剂的用途，用于治疗癌症等疾病。
• [EN] MACROCYCLIC 7-PYRAZOL-5-YL-INDOLE DERIVATIVES AS INHIBITORS OF MCL-1<br/>[FR] DÉRIVÉS MACROCYCLIQUES DE 7-PYRAZOL-5-YL-INDOLE UTILISÉS EN TANT QU'INHIBITEURS DE MCL-1
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2021239862A1

  公开（公告）日：2021-12-02

  The present invention relates to pharmaceutical agents useful for therapy and/or prophylaxis in a subject, pharmaceutical composition comprising such compounds, and their use as MCL-1 inhibitors, useful for treating diseases such as cancer.

  本发明涉及用于治疗和/或预防受试者的药物剂，包括这些化合物的药物组合物，以及它们作为MCL-1抑制剂的用途，用于治疗癌症等疾病。
• [EN] MACROCYCLIC ETHER CONTAINING INDOLE DERIVATIVES AS INHIBITORS OF MCL-1<br/>[FR] DÉRIVÉS D'INDOLE CONTENANT UN ÉTHER MACROCYCLIQUE EN TANT QU'INHIBITEURS DE MCL-1
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2022008674A1

  公开（公告）日：2022-01-13

  The present invention relates to pharmaceutical agents useful for therapy and/or prophylaxis in a subject, pharmaceutical composition comprising such compounds, and their use as MCL-1 inhibitors, useful for treating diseases such as cancer.

  本发明涉及用于治疗和/或预防受体的药物剂，包括这些化合物的药物组合物，以及它们作为MCL-1抑制剂的用途，用于治疗诸如癌症等疾病。
• [EN] MACROCYCLIC INHIBITORS OF MCL-1<br/>[FR] INHIBITEURS MACROCYCLIQUES DE MCL-1
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2020254471A1

  公开（公告）日：2020-12-24

  The present invention relates to pharmaceutical agents useful for therapy and/or prophylaxis in a subject, pharmaceutical composition comprising such compounds, and their use as MCL-1 inhibitors, useful for treating diseases such as cancer.

  本发明涉及用于治疗和/或预防受试者的药物制剂，包括这些化合物的药物组合物，并将它们用作MCL-1抑制剂，用于治疗癌症等疾病。