3,4-二溴-5-甲基吡唑 | 5932-19-4

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 中文名称: 3,4-二溴-5-甲基吡唑
• 中文别名: 3,4-二溴-5-甲基-1H-吡唑
• 英文名称: 3,4-dibromo-5-methyl-1(2)H-pyrazole
• 英文别名: 3-Methyl-4,5-dibromo-pyrazole；4,5-dibromo-3-methylpyrazole；3-Methyl-4,5-dibrom-pyrazol bzw. 5-Methyl-3,4-dibrom-pyrazol；3(5)-Methyl-4,5(3)-dibrom-pyrazol；3-Methyl-4,5-dibrom-pyrazol；4,5-Dibrom-3-methyl-pyrazol；3,4-dibromo-5-methyl-1H-pyrazole
• CAS: 5932-19-4
• 化学式: C₄H₄Br₂N₂
• mdl: MFCD00159652
• 分子量: 239.897
• InChiKey: HKWXBKMXJLNKLC-UHFFFAOYSA-N

物化性质

• 熔点：
  142 °C
• 沸点：
  329.3±37.0 °C(Predicted)
• 密度：
  2.188±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  28.7
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2933199090

反应信息

• 作为反应物：
  描述：

  3,4-二溴-5-甲基吡唑 在 硝酸 作用下， 以 硫酸 为溶剂， 生成 5-bromo-3-methyl-4-nitro-1H-pyrazole
  参考文献：
  名称：

  4-Nitropyrazoles

  摘要：

  涵盖了一种通过施用含有有效量4-硝基吡唑作为活性成分的化学组合物来诱导水果脱落的方法，以及特定的4-硝基吡唑。

  公开号：

  US03932453A1
• 作为产物：
  描述：

  4-溴-3-甲基吡唑 在 四氯化碳 、 溴 、 铁粉 作用下， 生成 3,4-二溴-5-甲基吡唑
  参考文献：
  名称：

  Huettel, Rudolf; Schaefer, Otto; Jochum, Peter, Justus Liebigs Annalen der Chemie, 1955, vol. 593, p. 200 - 207

  摘要：

  DOI：

文献信息

• Substituted piperazines
  申请人：ChemoCentryx, Inc.

  公开号：US20040162282A1

  公开（公告）日：2004-08-19

  Compounds are provided that act as potent antagonists of the CCR1 receptor, and which have been further confirmed in animal testing for inflammation, one of the hallmark disease states for CCR1. The compounds are generally aryl piperazine derivatives and are useful in pharmaceutical compositions, methods for the treatment of CCR1-mediated diseases, and as controls in assays for the identification of competitive CCR1 antagonists.

  提供了作为CCR1受体强效拮抗剂的化合物，并且这些化合物在动物炎症测试中进一步得到确认，炎症是CCR1的典型疾病状态之一。这些化合物通常是芳基哌嗪衍生物，在制药组合物、治疗CCR1介导疾病的方法以及用作竞争性CCR1拮抗剂鉴定的检测中是有用的。
• Alkyl and haloalkylpyrazoles, compositions and process
  申请人：The Upjohn Company

  公开号：US03957480A1

  公开（公告）日：1976-05-18

  Compounds of the formula: ##SPC1## Wherein R.sub.1 and R.sub.2 are the same or different and are hydrogen, alkyl of from 1 to 6 carbon atoms, inclusive, or phenyl; R.sub.3 is hydrogen, alkyl of from 1 to 8 carbon atoms, inclusive, phenyl, or benzyl; R.sub.4 is hydrogen or alkyl of from 1 to 6 carbon atoms, inclusive, and R.sub.3 and R.sub.4 can be joined together to form a heterocyclic ring selected from the group consisting of morpholine, pyrrolidine or piperidine; X is oxygen or sulfur; A and B are the same or different, and are hydrogen, alkyl of from 1 to 6 carbon atoms inclusive, cycloalkyl of from 3 to 7 carbon atoms, inclusive, haloalkyl, and halogen; Z is an alkyl group of from 1 to 6 carbon atoms, inclusive, or a cycloalkyl group of from 3 to 7 carbon atoms provided that when A and B are halogen, Z is located at the 4 or 5 positions. Methods for preparing the compounds, and agricultural compositions comprising the compounds with carriers for use as herbicides by application to foliage, soil or ponds for the control of unwanted vegetation are disclosed.

  公式为##SPC1##的化合物，其中R.sub.1和R.sub.2相同或不同，可以是氢、1到6个碳原子的烷基或苯基；R.sub.3是氢、1到8个碳原子的烷基、苯基或苄基；R.sub.4是氢或1到6个碳原子的烷基，R.sub.3和R.sub.4可以连接在一起形成吗啡啶、吡咯烷或哌啶的杂环；X是氧或硫；A和B相同或不同，可以是氢、1到6个碳原子的烷基、3到7个碳原子的环烷基、卤代烷基和卤素；Z是1到6个碳原子的烷基或3到7个碳原子的环烷基，当A和B是卤素时，Z位于4或5位置。公开了制备这些化合物的方法以及与载体组成的农业组合物，通过涂抹叶片、土壤或池塘来控制不需要的植被的除草剂。
• The N-vinyl group as a protection group of the preparation of 3(5)-substituted pyrazoles via bromine–lithium exchange
  作者：Brian Iddon、Janne Ejrnæs Tønder、Masood Hosseini、Mikael Begtrup

  DOI：10.1016/j.tet.2006.10.009

  日期：2007.1

  Treatment of 3,4,5-tribromopyrazole with 1,2-dibromoethane and triethylamine gave 3,4,5-tribromo-1-vinylpyrazole, which underwent regioselective bromine-lithium exchange at the 5-position. Subsequent addition of an electrophile gave 5-substituted 3,4-dibromo-1-vinylpyrazoles. These underwent bromine-lithium or bromine-magnesium exchange predominantly at the 4-position, with the regioselectivity between the 3- and 4-positions being influenced by the nature of the metal and the 5-substituent. The 5-substituted products were de-vinylated by mild treatment with KMnO4 affording 3-substituted pyrazoles. Alternatively, the 1-vinyl group could be used in ring-closing metathesis. Thus, 5-allylthio-1-vinylpyrazole produced 5H-pyrazolo[5,1-b] [1,3]thiazine upon treatment with Grubbs' second-generation catalyst. (c) 2006 Elsevier Ltd. All rights reserved.
• Huettel, Rudolf; Schaefer, Otto; Jochum, Peter, Justus Liebigs Annalen der Chemie, 1955, vol. 593, p. 200 - 207
  作者：Huettel, Rudolf、Schaefer, Otto、Jochum, Peter

  DOI：——

  日期：——
• 4-Nitropyrazoles
  申请人：Abbott Laboratories

  公开号：US03932453A1

  公开（公告）日：1976-01-13

  Covers a method of inducing abscission of fruit by applying a chemical composition containing an effective amount of a 4-nitropyrazole as the active ingredient in an agronomically acceptable carrier. Also covers certain 4-nitropyrazoles.

  涵盖了一种通过施用含有有效量4-硝基吡唑作为活性成分的化学组合物来诱导水果脱落的方法，以及特定的4-硝基吡唑。

表征谱图