3,5-二甲-2-乙吡啶 | 1123-96-2

• 物质功能分类: 医药中间体 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 3,5-二甲-2-乙吡啶
• 中文别名: 四甲吡啶；2-乙基-3,5-二甲基吡啶；3,5-二甲基-2-乙基吡啶
• 英文名称: 2-ethyl-3,5-dimethylpyridine
• 英文别名: 2-ethyl-3,5-dimethyl-pyridine；3,5-dimethyl-2-ethylpyridine；α-parvoline；2-Aethyl-3,5-dimethyl-pyridin；2-Aethyl-3,5-dimethylpyridin；2-Ethyl-3,5-dimethyl-pyridin
• CAS: 1123-96-2
• 化学式: C₉H₁₃N
• mdl: MFCD00051049
• 分子量: 135.209
• InChiKey: QLUUXTUCKOZMEL-UHFFFAOYSA-N

物化性质

• 熔点：
  31.33°C (estimate)
• 沸点：
  201℃
• 密度：
  0.913
• 闪点：
  65℃
• LogP：
  2.645 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.444
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P501,P210,P264,P280,P302+P352,P370+P378,P337+P313,P305+P351+P338,P362+P364,P332+P313,P403+P235
• 危险性描述：
  H315,H319,H227
• 储存条件：
  室温下，存于惰性气体中。

反应信息

• 作为反应物：
  描述：

  3,5-二甲-2-乙吡啶 在 potassium permanganate 作用下， 生成 吡啶-2,3,5-三羧酸
  参考文献：
  名称：

  Duerkopf; Goettsch, Chemische Berichte, 1890, vol. 23, p. 691

  摘要：

  DOI：
• 作为产物：
  描述：

  propanolamine 生成 3,5-二甲-2-乙吡啶
  参考文献：
  名称：

  Waage, Monatshefte fur Chemie, 1883, vol. 4, p. 725

  摘要：

  DOI：

文献信息

• Direct Deamination of Primary Amines by Water To Produce Alcohols
  作者：Julia R. Khusnutdinova、Yehoshoa Ben-David、David Milstein

  DOI：10.1002/anie.201301000

  日期：2013.6.10

  Just add water! The title reaction is catalyzed by an acridine‐based pincer complex (1, see scheme). This one‐step transformation uses water as the only reagent in the absence of additional bases, oxidants, or reductants. Cyclization of 1,4‐diaminobutane and 1,6‐diaminohexane catalyzed by 1 leads to the formation of pyrrolidine and azepane, respectively.

  就加水！标题反应由基于a啶的钳夹复合物催化（1，参见方案）。在没有其他碱，氧化剂或还原剂的情况下，此一步转换将水用作唯一的试剂。被1催化的1,4-二氨基丁烷和1,6-二氨基己烷的环化反应分别形成吡咯烷和氮杂环庚烷。
• Synthesis of Alkyl- and Aryl-Substituted Pyridines from (α,β-Unsaturated) Imines or Oximes and Carbonyl Compounds
  作者：Robert J. Vijn、Henricus J. Arts、Richard Green、Anna M. Castelijns

  DOI：10.1055/s-1994-25526

  日期：——

  Reaction of a variety of (α,β-unsaturated) imines or oximes with aliphatic aldehydes or cyclic ketones in the presence of a secondary amine afforded alkyl-, and/or aryl-, and/or cycloalkyl-substituted pyridines.1 To explain their formation, a hetero Diels-Alder reaction has been postulated, in which an 1-aza-1,3-butadiene reacts with an in situ generated enamine.

  在存在二级胺的条件下，各种（α，β-不饱和）亚胺或肟与脂肪族醛或环酮反应，得到烷基-、芳基-和/或环烷基取代的吡啶。为了解释它们的形成，提出了杂Diels-Alder反应，其中1-氮-1,3-丁二烯与现场生成的烯胺反应。
• Synthesis and characterization of new polysubstituted pyridinium-based ionic liquids: application as solvents on desulfurization of fuel oils
  作者：Pedro Verdía、Emilio J. González、Borja Rodríguez-Cabo、Emilia Tojo

  DOI：10.1039/c1gc15408g

  日期：——

  The production of transportation fuels which have a very low content of sulfur has became one of the priority challenges for the oil industry worldwide, due to by strict new regulatory requirements. Ionic liquids (ILs) have been proposed as suitable and promising solvents for this purpose due to their excellent qualities as solvents. In this work a series of ten new ILs derived from pyridinium cation substituted with different alkyl chains have been synthesized from 2-alkyl-3,5-dimethylpyridines. The starting materials were prepared by selective metalation of 2,3,5-trimethylpyridine, which allowed the introduction of different alkyl groups in pyridine position 2 with high yields. To test the ILs sulfur-removal capacity, liquid–liquid equilibrium (LLE) data for ternary systems (heptane + thiophene + IL) were determined at T = 298.15 K and atmospheric pressure. Selectivity and solute distribution ratio, calculated from tie-lines, were used to evaluate whether these new ILs could be used as solvents for the extraction of thiophene from heptane. Finally, the experimental LLE data were correlated with the NRLT thermodynamic model.

  生产含硫量极低的运输燃料已成为全球石油工业的首要挑战之一，这是由于严格的新法规要求所致。离子液体(ILs)因其作为溶剂的卓越性能，已被提议为适用于此目的的有前景的溶剂。在本研究中，从2-烷基-3,5-二甲基吡啶出发，合成了十个源自吡啶鎓阳离子并带有不同烷基链的新型ILs。起始材料是通过选择性金属化2,3,5-三甲基吡啶制备的，该方法能够以高产率在吡啶的2位引入不同的烷基基团。为了测试这些ILs的除硫能力，在T = 298.15 K和常压下确定了一系列三元体系（正庚烷+噻吩+IL）的液-液平衡(LLE)数据。通过配平线计算的选择性和溶质分布比，用于评估这些新型ILs是否可用作从正庚烷中提取噻吩的溶剂。最后，实验LLE数据与NRLT热力学模型进行了关联。
• Insecticidal 4-phenyl-1H-pyrazoles
  申请人：Werner Stefan

  公开号：US20110190365A1

  公开（公告）日：2011-08-04

  The present invention relates to novel 4-phenyl-1H-pyrazoles and their use as insecticides and/or parasiticides and also to processes for their preparation and to compositions comprising such phenylpyrazoles.

  本发明涉及新型的4-苯基-1H-吡唑并将其用作杀虫剂和/或驱虫剂，还涉及其制备方法以及包含这些苯基吡唑的组合物。
• An Improved Liquid-Phase Synthesis of Simple Alkylpyridines
  作者：J. Ian Grayson、Rolf Dinkel

  DOI：10.1002/hlca.19840670811

  日期：1984.12.19

  The synthesis of pyridines from mixtures of aldehydes or ketones NH3 in the liquid phase has been reinvestigated, using continuous dosage of the carbonyl components to the reaction mixture. The main product from the reaction of acetaldehyde and formaldehyde is 3-methylpyridine (6), which is also the main product from the reaction of acrolein or a mixture of crotonaldehyde and formaldehyde under the

  由醛或酮NH 3在液相中的混合物合成吡啶已进行了重新研究，使用了连续剂量的羰基组分至反应混合物中。乙醛和甲醛反应的主要产物是3-甲基吡啶（6），它也是丙烯醛或巴豆醛和甲醛的混合物在相同条件下反应的主要产物。其他醛与甲醛的反应得到3,5-二dialklypyridines，例如10，16。丙酮与甲醛或乙醛反应生成多取代的烷基吡啶。提出了一种机械途径，其解释了所观察到的产物的形成。