2-iodo-1,4,5-trimethyl-1H-imidazole | 149510-87-2

• 英文名称: 2-iodo-1,4,5-trimethyl-1H-imidazole
• 英文别名: 2-iodo-1,4,5-trimethylimidazole
• CAS: 149510-87-2
• 化学式: C₆H₉IN₂
• 分子量: 236.055
• InChiKey: GVLZHNZGMZTEPY-UHFFFAOYSA-N

物化性质

• 沸点：
  302.2±45.0 °C(Predicted)
• 密度：
  1.80±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-iodo-1,4,5-trimethyl-1H-imidazole 在 copper(l) iodide 、 四(三苯基膦)钯 、 四丁基氟化铵 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 0.83h， 生成 2-ethynyl-1,4,5-trimethyl-1H-imidazole
  参考文献：
  名称：

  Synthesis of optically active polyheterocycles containing pyrrolidine, imidazole, and 1,2,3-triazole rings

  摘要：

  Optically active polyheterocycles containing pyrrolidine, imidazole, and 1,2,3-triazole units were obtained via a multistep synthesis with the [3+2] cycloaddition of Boc-protected (S)-(pyrrolidin-2-yl) methyl azide with 2-ethynylimidazoles in the presence of CuI (CuAAC reaction) as the key step. Typical for terminal alkynes, the reactions occurred regioselectively and 1,4-disubstituted 1,2,3-triazoles were formed exclusively. The deprotection of the pyrrolidine N-atom was performed by treatment with TFA under standard conditions. (c) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2015.10.019
• 作为产物：
  描述：

  1,4,5-trimethyl-1H-imidazole 3-oxide 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 1.0h， 生成 2-iodo-1,4,5-trimethyl-1H-imidazole
  参考文献：
  名称：

  Synthesis of optically active polyheterocycles containing pyrrolidine, imidazole, and 1,2,3-triazole rings

  摘要：

  Optically active polyheterocycles containing pyrrolidine, imidazole, and 1,2,3-triazole units were obtained via a multistep synthesis with the [3+2] cycloaddition of Boc-protected (S)-(pyrrolidin-2-yl) methyl azide with 2-ethynylimidazoles in the presence of CuI (CuAAC reaction) as the key step. Typical for terminal alkynes, the reactions occurred regioselectively and 1,4-disubstituted 1,2,3-triazoles were formed exclusively. The deprotection of the pyrrolidine N-atom was performed by treatment with TFA under standard conditions. (c) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2015.10.019

文献信息

• [EN] TRICYCLIC COMPOUND AND USE THEREOF<br/>[FR] COMPOSÉ TRICYCLIQUE ET SON UTILISATION<br/>[ZH] 三环类化合物及用途
  申请人：JIANGSU SIMCERE PHARM CO LTD

  公开号：WO2022143864A1

  公开（公告）日：2022-07-07

  提供了式(I)所示化合物或其药学上可接受的盐、其药物组合物及其制备方法，以及其作为MAT2A抑制剂的用途。式(I)中的环A、环Q、X、Y、X1、X2、L和R1如说明书中所定义。
• TYK2 inhibitors and uses thereof
  申请人：Nimbus Lakshmi, Inc.

  公开号：US11053241B2

  公开（公告）日：2021-07-06

  The present invention provides compounds, compositions thereof, and methods of using the same for the inhibition of TYK2, and the treatment of TYK2-mediated disorders.

  本发明提供了用于抑制 TYK2 和治疗 TYK2 介导的疾病的化合物、其组合物和使用方法。
• WO2020112937A5
  申请人：——

  公开号：WO2020112937A5

  公开（公告）日：2022-12-05
• ORGANIC ELECTROLUMINESCENT DEVICE
  申请人：Kuramochi Yusuke

  公开号：US20120049167A1

  公开（公告）日：2012-03-01

  An organic electroluminescent device in which an organic layer containing a metal coordination compound represented by the following formula (1) is sandwiched between the pair of electrodes composed of an anode and a cathode, ML a X b (1) wherein M is an ion of a metal of Group 11 of the Periodic Table, L is a ligand represented by the formula (2) shown below, X is an anion, and a and b are defined in the specification, wherein A is a divalent group formed by removing two hydrogen atoms from the formula (3) or (4) shown below, and D 1 , k 1 , m 1 , A, D 1 , Q 1 , and Q 2 are defined in the specification, wherein X 1 , X 2 , X 3 , X 4 , X 5 , R 1 , R 5 , R 6 , and R 9 are defined in the specification.
• TYK2 INHIBITORS AND USES THEREOF
  申请人：Nimbus Lakshmi, Inc.

  公开号：US20200172540A1

  公开（公告）日：2020-06-04

  The present invention provides compounds, compositions thereof, and methods of using the same for the inhibition of TYK2, and the treatment of TYK2-mediated disorders.