3,5-dimethyl-4-n-butylpyrazole | 13753-54-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3,5-dimethyl-4-n-butylpyrazole
• 英文别名: 3,5-dimethyl-4-butylpyrazole；4-butyl-3,5-dimethyl-1H-pyrazole；3,5-Dimethyl-4-butyl-pyrazol；4-Butyl-3,5-dimethyl-pyrazol；4-butyl-3,5-dimethyl-1H-pyrazole
• CAS: 13753-54-3
• 化学式: C₉H₁₆N₂
• 分子量: 152.239
• InChiKey: YLLIHXVEWJQWAV-UHFFFAOYSA-N

物化性质

• 沸点：
  275.0±9.0 °C(Predicted)
• 密度：
  0.955±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  28.7
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3,5-dimethyl-4-n-butylpyrazole 生成 bis-[μ-(4-butyl-3,5-dimethyl-pyrazolato-N1:N2)]-tetrachloro-bis-boron
  参考文献：
  名称：

  Boron-pyrazole chemistry. III. Chemistry of pyrazaboles

  摘要：

  DOI：

  10.1021/ja00995a021
• 作为产物：
  描述：

  4-butyl-3,5-dimethyl-1-[2-(p-tosyl)-ethyl]-1H-pyrazole 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 以75%的产率得到3,5-dimethyl-4-n-butylpyrazole
  参考文献：
  名称：

  Synthesis of β-tosylethylhydrazine and its use in preparation of N-protected pyrazoles and 5-aminopyrazoles

  摘要：

  beta-Tosylethylhydrazine (6) can be prepared efficiently in one step from commercially available p-tolyl vinyl sulfone (7) and hydrazine hydrate. This hydrazine reacts with both 1,3-diketones and conjugated ynones in glacial acetic acid to provide a variety of N-tosylethyl-protected (TSE) pyrazoles in good yields. The TSE group can be removed from the pyrazoles using potassium t-butoxide in THF at -30 degreesC-rt. In addition, hydrazine 6 condenses with beta-ketonitriles and beta-aminoacrylonitriles to afford 5-aminopyrazoles, which can be deprotected by brief treatment with NaOEt in EtOR/DMSO at 45 degreesC. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2003.11.046

文献信息

• [EN] TRANSTHYRETIN STABILIZERS AND THEIR USE FOR INHIBITING TRANSTHYRETIN AMYLOIDOSIS AND PROTEIN-PROTEIN INTERACTIONS<br/>[FR] STABILISANTS DE TRANSTHYRÉTINE ET LEUR UTILISATION POUR INHIBER L'AMYLOSE DE LA TRANSTHYRÉTINE ET LES INTERACTIONS PROTÉINE-PROTÉINE
  申请人：UNIV LELAND STANFORD JUNIOR

  公开号：WO2014100227A1

  公开（公告）日：2014-06-26

  Disclosed herein are compounds and compositions thereof which find use in increasing stability of proteins particularly proteins that tend to misfold and form aggregates. Also provided herein are methods for using these compounds and compositions for increasing stability of proteins and thereby decreasing aggregate formation by these proteins. Also disclosed herein are heterobifunctional compounds that include a TTR binding compound connected to a targeting moiety via a linker, for use in disrupting PPIs of a target protein.

  本文公开了一些化合物及其组合物，可用于增加蛋白质的稳定性，特别是那些容易错折和形成聚集体的蛋白质。本文还提供了使用这些化合物和组合物来增加蛋白质稳定性并因此减少这些蛋白质聚集体形成的方法。本文还公开了异二功能化合物，其中包括通过连接剂连接到靶向基团的TTR结合化合物，用于破坏目标蛋白质的PPI。
• TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF
  申请人：Babu Srinivasan

  公开号：US20110201593A1

  公开（公告）日：2011-08-18

  The invention provides novel compounds of formula I having the general formula: wherein R 1 , R 2 , R 3 , X and Y are as described herein. Accordingly, the compounds may be provided in pharmaceutically acceptable compositions and used for the treatment of immunological or hyperproliferative disorders.

  本发明提供了具有以下一般式的新化合物I： 其中R1、R2、R3、X和Y如本文所述。因此，这些化合物可以在药学上可接受的组合物中提供，并用于治疗免疫或过度增生性疾病。
• TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20150223460A1

  公开（公告）日：2015-08-13

  The present invention provides a compound having an excellent efficacy for controlling pests. A tetrazolinone compound of a formula (1): [wherein Q represents a group selected from the following group: Q1, Q2, Q3 or Q4: R 1 , R 2 R 3 and R 11 represent independently of each other a halogen atom, an CI-C6 alkyl group, etc.; R 4 and R 5 represents independently of each other a hydrogen atom, a halogen atom or an C i-C3 alkyl group, etc.; R 6 represents an C2-C4 alkynyl group or a C3-C6 cycloalkyl group, etc.; R 7 R 8 and R 9 represent independently of each other a hydrogen atom, a halogen atom, etc.; R 10 represents an C1-C3 alkyl group, etc.; and X represent an oxgen atom, etc.] shows an excellent controlling efficacy on pests.

  本发明提供了一种具有优异的杀虫效果的化合物。式（1）的四唑酮化合物：[其中Q代表以下组中的一组：Q1，Q2，Q3或Q4：R1，R2R3和R11分别独立地表示卤素原子，CI-C6烷基等；R4和R5分别独立地表示氢原子、卤素原子或CI-C3烷基等；R6表示C2-C4炔基或C3-C6环烷基等；R7，R8和R9分别独立地表示氢原子、卤素原子等；R10表示C1-C3烷基等；X表示氧原子等]对害虫具有优异的控制效果。
• Tetrazolinone compounds and their use as pesticides
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US09314023B2

  公开（公告）日：2016-04-19

  The present invention provides a compound having an excellent efficacy for controlling pests. A tetrazolinone compound of a formula (1): [wherein Q represents a group selected from the following group: Q1, Q2, Q3 or Q4: R1, R2 R3 and R11 represent independently of each other a halogen atom, an CI-C6 alkyl group, etc.; R4 and R5 represents independently of each other a hydrogen atom, a halogen atom or an C i-C3 alkyl group, etc.; R6 represents an C2-C4 alkynyl group or a C3-C6 cycloalkyl group, etc.; R7 R8 and R9 represent independently of each other a hydrogen atom, a halogen atom, etc.; R10 represents an C1-C3 alkyl group, etc.; and X represent an oxygen atom, etc.] shows an excellent controlling efficacy on pests.

  本发明提供了一种具有优异的杀虫效果的化合物。该化合物为式（1）的四唑酮化合物：[其中Q代表以下组中选择的一组：Q1、Q2、Q3或Q4；R1、R2、R3和R11独立地代表卤素原子、C1-C6烷基等；R4和R5独立地代表氢原子、卤素原子或C1-C3烷基等；R6代表C2-C4炔基或C3-C6环烷基等；R7、R8和R9独立地代表氢原子、卤素原子等；R10代表C1-C3烷基等；X代表氧原子等]，对害虫具有优异的控制效果。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: B: B-Verb.5, 1.2, page 2 - 7
  作者：

  DOI：——

  日期：——