3-甲基-4-(1H-吡唑-1-yl)苯甲醛 | 433920-87-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 3-甲基-4-(1H-吡唑-1-yl)苯甲醛
• 英文名称: 3-methoxy-4-(1H-pyrazol-1-yl)benzaldehyde
• 英文别名: 3-methoxy-4-pyrazol-1-ylbenzaldehyde
• CAS: 433920-87-7
• 化学式: C₁₁H₁₀N₂O₂
• 分子量: 202.213
• InChiKey: BVVQCIMSMJVSPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 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-甲基-4-(1H-吡唑-1-yl)苯甲醛 在 三乙基硅烷 、 正丁基锂 、 三氟乙酸 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 2-Chloro-5-[(3-methoxy-4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole
  参考文献：
  名称：

  WO2019079519A5

  摘要：

  公开号：

  WO2019079519A5
• 作为产物：
  描述：

  3-甲氧基-4-氨基苯甲酸甲酯 在 copper(l) iodide 、 lithium aluminium tetrahydride 、 硫酸 、 pyridinium chlorochromate 、 potassium iodide 、 sodium nitrite 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 反应 5.5h， 生成 3-甲基-4-(1H-吡唑-1-yl)苯甲醛
  参考文献：
  名称：

  Synthesis and preliminary evaluation of curcumin analogues as cytotoxic agents

  摘要：

  A series of curcumin analogues with different substituents at the 4-position of the phenyl group were synthesized and screened for in vitro cytotoxicity against a panel of human cancer cell lines. Several novel curcumin analogues, especially 32 and 34, exhibited selective and potent cytotoxic activity against human epidermoid carcinoma cell line A-431 and human glioblastoma cell line U-251, implying their specific potential in the chemoprevention and chemotherapy of skin cancer and glioma. The preliminary SAR information extracted from the results suggested that introduction of appropriate substituents to the 4'-positions could be a promising approach for the development of new cytotoxic curcumin analogues with special selectivity for A-431 and U-251 cell lines. (C) 2011 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2010.12.020

文献信息

• 6-O-acyl ketolide antibacterials
  申请人：——

  公开号：US20030220272A1

  公开（公告）日：2003-11-27

  6-O-Acyl ketolide antibacterials of the formula: 1 wherein R 1 , R 2 , R 3 , R 4 , W, X, X′, Y, and Y′ are as described herein and in which the substituents have the meaning indicated in the description. These compounds are useful as antibacterial agents.

  其中R1、R2、R3、R4、W、X、X'、Y和Y'如本文所述，并且其中取代基具有描述中指示的含义。这些化合物可用作抗菌剂。
• 6-O-carbamoyl ketolide antibacterials
  申请人：Ortho-McNeil Pharmaceutical, Inc.

  公开号：US06613747B2

  公开（公告）日：2003-09-02

  6-O-Carbamoyl ketolide antibacterials of the formula: wherein R1, R2, R3, R4, R5, R6, X, X′, Y, and Y′ are as described herein and in which the substituents have the meaning indicated in the description. These compounds are useful as antibacterial agents.

  其中R1、R2、R3、R4、R5、R6、X、X'、Y和Y'如本文所述，并且其中取代基具有描述中指示的含义。这些化合物可用作抗菌剂。
• 6-0-carbamoyl ketolide antibacterials
  申请人：——

  公开号：US20020115620A1

  公开（公告）日：2002-08-22

  6-O-Carbamoyl ketolide antibacterials of the formula: 1 wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , X, X′, Y, and Y′ are as described herein and in which the substituents have the meaning indicated in the description. These compounds are useful as antibacterial agents.

  其中R1、R2、R3、R4、R5、R6、X、X'、Y和Y'如本文所述，并且其中取代基具有描述中指示的含义。这些化合物可用作抗菌剂。
• [EN] 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS<br/>[FR] DERIVES DE 6-O-ACYL CETOLIDE D'ERYTHROMYCINE UTILES COMME AGENTS ANTI-BACTERIENS
  申请人：ORTHO MCNEIL PHARM INC

  公开号：WO2003050132A1

  公开（公告）日：2003-06-19

  6-O-Acyl ketolide antibacterials of formula (I): wherein R?1, R2, R3, R4¿, W, X, X', Y, and Y' are as described herein and in which the substituents have the meaning indicated in the description. These compounds are useful as antibacterial agents.

  公式（I）中的6-O-Acyl ketolide抗菌剂：其中R?1，R2，R3，R4¿，W，X，X'，Y和Y'如本文所述，并且其中取代基的含义如说明中所示。这些化合物可用作抗菌剂。
• [EN] 6-0-CARBAMOYL KETOLIDE DERIVATIVES OF ERYTHROMYCIN USEFUL AS ANTIBACTERIALS<br/>[FR] DERIVES 6-0-CARBAMOYLCETOLIDE DE L'ERYTHROMYCINE UTILES COMME ANTIBACTERIENS
  申请人：ORTHO MCNEIL PHARM INC

  公开号：WO2002046204A1

  公开（公告）日：2002-06-13

  6-0-carbamoyl ketolide antibacterials of the formula: wherein R?1, R2, R3, R4, R5¿, R6, X, X', Y, and Y' are as described herein and in which the substituents have the meaning indicated in the description. These compounds are useful as antibacterial agents.

  公式为6-0-氨基甲酰基酮亚胺类抗菌剂，其中R?1，R2，R3，R4，R5，R6，X，X'，Y和Y'如本文中所述，并且其中取代基具有所述描述中指示的含义。这些化合物可用作抗菌剂。