4-Iodo-1-(methoxymethyl)pyrazole | 145243-92-1

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 英文名称: 4-Iodo-1-(methoxymethyl)pyrazole
• 英文别名: 4-iodo-1-(methoxymethyl)-1H-pyrazole
• CAS: 145243-92-1
• 化学式: C₅H₇IN₂O
• 分子量: 238.028
• InChiKey: BRFDNDNRDQJQOJ-UHFFFAOYSA-N

物化性质

• 沸点：
  255.1±20.0 °C(Predicted)
• 密度：
  1.93±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  27
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-Iodo-1-(methoxymethyl)pyrazole 、 N,N-二甲基甲酰胺 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 以54%的产率得到4-iodo-1-(methoxymethyl)-1H-pyrazole-5-carboxaldehyde
  参考文献：
  名称：

  Rapid Access to Pyrazolo[3,4-c]pyridines via Alkyne Annulation:  Limitations of Steric Control in Nickel-Catalyzed Alkyne Insertions

  摘要：

  Polyfunctionalized pyrazolo[3,4-c]pyridines ere readily prepared by the annulation of alkynes with tert-butyl 4-iodopyrazolocarboximines. The reaction was found to be catalyzed by both NiBr2(PPh3)(2)/Zn or PdCl2(PhCN)(2) to yield complex heterocycles in good to moderate yields. Annulation using nickel catalysis was found to be regio-random, implying that steric control in nickel-catalyzed alkyne insertion has limitations based on the character of the Ni-C bond in the pre-insertion complex.

  DOI：

  10.1021/ol701784w
• 作为产物：
  描述：

  4-碘吡唑 、 氯甲基甲基醚 在 sodium hydride 作用下， 生成 4-Iodo-1-(methoxymethyl)pyrazole
  参考文献：
  名称：

  Substituted quinone synthesis by palladium-copper cocatalyzed cross-coupling of stannylquinones with aryl and heteroaryl iodides

  摘要：

  A general and high-yielding route to a variety of aryl- and heteroaryl-substituted quinones is now available via the palladium-copper cocatalyzed cross-coupling of stannylquinones with aryl and heteroaryl iodides. Using this technology a number of novel aromatic- and heteroaromatic-substituted quinones were produced. Mechanistic insight is presented into the various catalytic systems used.

  DOI：

  10.1021/jo00054a025

文献信息

• Cycloalkane Derivatives
  申请人：Daiichi Sankyo Company, Limited

  公开号：US20140045862A1

  公开（公告）日：2014-02-13

  Disclosed herein are therapeutic agents and/or preventive agents for pain or therapeutic agents and/or preventive agents for a sodium channel associated disease. The present invention provides compounds represented by the following formula (I) or pharmacologically acceptable salts thereof:

  本文介绍了治疗疼痛的治疗剂和/或预防剂，或治疗钠通道相关疾病的治疗剂和/或预防剂。本发明提供了以下公式（I）所表示的化合物或其药理学上可接受的盐：
• Cycloalkane derivatives
  申请人：Daiichi Sankyo Company, Limited

  公开号：US08889741B2

  公开（公告）日：2014-11-18

  Disclosed herein are therapeutic agents and/or preventive agents for pain or therapeutic agents and/or preventive agents for a sodium channel associated disease. The present invention provides compounds represented by the following formula (I) or pharmacologically acceptable salts thereof:

  本文披露了用于疼痛的治疗剂和/或预防剂，或用于钠通道相关疾病的治疗剂和/或预防剂。本发明提供以下公式（I）所代表的化合物或其药理学上可接受的盐：
• CYCLOALKANE DERIVATIVES
  申请人：Daiichi Sankyo Company, Limited

  公开号：US20150018551A1

  公开（公告）日：2015-01-15

  Disclosed herein are therapeutic agents and/or preventive agents for pain or therapeutic agents and/or preventive agents for a sodium channel associated disease. The present invention provides compounds represented by the following formula (I) or pharmacologically acceptable salts thereof:

  本文公开了治疗或预防疼痛的治疗剂和/或预防剂，或与钠通道相关疾病的治疗剂和/或预防剂。本发明提供以下公式（I）所代表的化合物或其药学上可接受的盐：
• Synthetic manifestation of trinitro-pyrazolo-2H-1,2,3-triazoles (TNPT) as insensitive energetic materials
  作者：Muntha Balaraju、Nagarjuna Kommu、Srinivas Vangara、Aswini K. Sahoo、Vikranth Thaltiri、Akhila K. Sahoo

  DOI：10.1039/d3cc05116a

  日期：——

  This study showcases the design and development of a facile method for synthesizing trinitro-pyrazolo-triazole (TNPT) and its derivatives.