5-methyl-2-(4-chlorophenyl)pyridine | 34123-86-9

• 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
• 英文名称: 5-methyl-2-(4-chlorophenyl)pyridine
• 英文别名: 2-(4-chlorophenyl)-5-methylpyridine；Cl-mppy
• CAS: 34123-86-9
• 化学式: C₁₂H₁₀ClN
• 分子量: 203.671
• InChiKey: UMNDMOVHHMUKTJ-UHFFFAOYSA-N

物化性质

• 沸点：
  316.8±27.0 °C(Predicted)
• 密度：
  1.156±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  5-methyl-2-(4-chlorophenyl)pyridine 以 乙二醇甲醚 、 水 、 乙二醇 、 乙腈 为溶剂， 生成 (5,5'-di-methyl-2,2'-dipyridyl)-bis-(5-methyl-2-(4-chlorophenyl)pyridine(-1H))-iridium(III) chloride
  参考文献：
  名称：

  Accelerated Luminophore Discovery through Combinatorial Synthesis

  摘要：

  A method for accelerating the discovery of ionic luminophores using combinatorial techniques is reported. The photophysical properties of the resulting transition-metal-based chromophores were compared against a series of analogous, traditionally prepared species. The strong overlap between these two sets confirms the identity of the parallel synthesis products and supports the truthfulness of the combinatorial results. Further support for the combinatorial method comes from the adherence of these complexes to the energy gap law. The relationship between the structure of a complex and its photophysical properties was also considered, and static DFT calculations were used to assess whether it is feasible to predict the luminescent behavior of novel materials.

  DOI：

  10.1021/ja047156+
• 作为产物：
  描述：

  2-甲基丙烯醛 、 1-(2-(4-chlorophenyl)-2-oxoethyl)pyridinium bromide 在 乙酸铵 作用下， 以 甲醇 为溶剂， 反应 12.0h， 生成 5-methyl-2-(4-chlorophenyl)pyridine
  参考文献：
  名称：

  Accelerated Luminophore Discovery through Combinatorial Synthesis

  摘要：

  A method for accelerating the discovery of ionic luminophores using combinatorial techniques is reported. The photophysical properties of the resulting transition-metal-based chromophores were compared against a series of analogous, traditionally prepared species. The strong overlap between these two sets confirms the identity of the parallel synthesis products and supports the truthfulness of the combinatorial results. Further support for the combinatorial method comes from the adherence of these complexes to the energy gap law. The relationship between the structure of a complex and its photophysical properties was also considered, and static DFT calculations were used to assess whether it is feasible to predict the luminescent behavior of novel materials.

  DOI：

  10.1021/ja047156+

文献信息

• Efficient construction of C–C bonds from aryl halides/aryl esters with arylboronic acids catalysed by palladium(II) thiourea complexes
  作者：Manikandan Thimma Sambamoorthy、Ramesh Rengan、Malecki Jan Grzegorz

  DOI：10.1002/aoc.5181

  日期：2019.11

  Interestingly, the palladium(II) thiourea complexes showed the highest catalytic activity with 0.1 mol% catalyst loading in Suzuki–Miyaura cross‐coupling reactions utilizing a range of aryl bromides/unactivated aryl chlorides with arylboronic acids as coupling partners in aqueous–organic media. Syntheses of diaryl ketones using aryl esters and arylboronic acids as coupling partners were also achieved with low

  已成功地合成了一组新的包含苯基（噻唑基）硫脲配体的钯（II）配合物，并借助分析和光谱（IR，UV-可见光和NMR）方法对其进行了表征。单晶X射线衍射法证实了新钯配合物中硫脲配体的N ^ S配位模式具有N ^ S配位模式的扭曲方平面几何结构。有趣的是，钯（II）硫脲配合物在铃木-宫浦交叉偶联反应中显示出最高的催化活性，催化剂负载量为0.1摩尔％，利用一系列芳基溴化物/未活化的芳基氯化物与芳基硼酸作为水性有机介质中的偶合伙伴。使用芳基酯和芳基硼酸作为偶合伙伴合成二芳基酮也可以在20小时内以较低的催化剂负载量实现。我们的催化剂的潜力通过其广泛的底物范围，低的催化剂负载量和高的分离产率得到了证明。此外，还研究了关键参数如溶剂，碱，温度和催化剂用量的影响。
• Highly efficient palladium(<scp>ii</scp>) hydrazone based catalysts for the Suzuki coupling reaction in aqueous medium
  作者：Subramanian Muthumari、Rengan Ramesh

  DOI：10.1039/c6ra06734d

  日期：——

  and reveal the presence of a distorted square planar geometry around the Pd ion. The complexes 1–5 (0.05 mol%) have been found to be a highly active catalytic system in the mono and double Suzuki–Miyaura cross coupling reaction of deactivated aryl and heteroaryl bromides with different types of aryl boronic acids in neat water and the maximum yield was up to >99%. Notably, these catalysts work well with

  合成了一种新的通式为[PdCl（PPh 3）（L）]的空气稳定型钯（II）苯并zone配合物（其中HL =噻吩醛苯并恶唑酮），其中PPh 3和氯化物为共配体。简单便捷的步骤，收率高。所有新的络合物均已通过元素分析，IR，UV-vis和NMR光谱法进行了全面表征。通过单晶X射线晶体学确定了三种配合物的分子结构，这证实了苯并zone的配位模式并揭示了在Pd离子周围存在扭曲的正方形平面几何形状。配合物1-5在纯水中，失活的芳基和杂芳基溴化物与不同类型的芳基硼酸的单和双Suzuki-Miyaura交叉偶联反应中，发现（0.05 mol％）是高活性催化体系。 99％。值得注意的是，这些催化剂在催化剂的超低负载下工作良好，并且在短时间内针对不同的底物表现出高周转率。而且，催化剂可以简单地回收并重复使用五次而不会显着损失效率。
• [EN] 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES<br/>[FR] DÉRIVÉS D'ACIDE 7-PHÉNOXYCHROMANECARBOXYLIQUE
  申请人：ARRAY BIOPHARMA INC

  公开号：WO2010075200A1

  公开（公告）日：2010-07-01

  Compounds of Formula I: (I) in which A, A1, R1, R7a, R7b, R8 and R10 have the meanings given in the specification, are DP2 receptor inhibitors useful in the treatment of useful in the treatment and prevention of immunologic diseases, allergic diseases such as asthma, allergic rhinitis and atopic dermatitis, and other inflammatory diseases mediated by prostaglandin D2 (PGD2). The compounds of Formula I may also be useful in treating diseases or medical conditions involving the Th2 T cell via production of IL-4, IL-5 and/or IL-13.

  化合物的化学式I：（I），其中A，A1，R1，R7a，R7b，R8和R10具有规范中给定的含义，是DP2受体抑制剂，在治疗免疫性疾病、过敏性疾病（如哮喘、过敏性鼻炎和特应性皮炎）以及由前列腺素D2（PGD2）介导的其他炎症性疾病的治疗中有用。化合物的化学式I也可能在治疗涉及Th2 T细胞通过IL-4、IL-5和/或IL-13产生的疾病或医疗状况中有用。
• Pyrrolidines
  申请人：Dack Kevin N.

  公开号：US20100120793A1

  公开（公告）日：2010-05-13

  This invention relates to a class of pyrrolidine compounds of formula (I), and pharmaceutically acceptable derivatives thereof, to their use in medicine, to compositions containing them, and to processes for their preparation. It also relates to intermediates used in the preparation of such compounds and derivatives. In particular the compounds of formula (I) are useful for the treatment of EP2-mediated conditions, such as endometriosis, uterine fibroids (leiomyomata), menorrhagia, adenomyosis, primary and secondary dysmenorrhoea (including symptoms of dyspareunia, dyschexia and chronic pelvic pain), chronic pelvic pain syndrome.

  这项发明涉及一类式(I)的吡咯烷化合物及其药学上可接受的衍生物，它们在医学上的应用，含有它们的组合物，以及它们的制备方法。它还涉及用于制备这类化合物和衍生物的中间体。特别是式(I)的化合物对于治疗EP2介导的疾病非常有用，如子宫内膜异位症、子宫肌瘤（平滑肌瘤）、月经过多、子宫腺肌病、原发性和继发性痛经（包括性交疼痛、排便疼痛和慢性盆腔疼痛症状）、慢性盆腔疼痛综合征。
• Palladium(ii) thiocarboxamide complexes: synthesis, characterisation and application to catalytic Suzuki coupling reactions
  作者：Elangovan Sindhuja、Rengan Ramesh、Yu Liu

  DOI：10.1039/c2dt12243j

  日期：——

  and were found to have much greater activity, without using any promoting additives or phase transfer agent under aerobic conditions. Higher reaction rates are obtained by varying R substituents on the aromatic ring of pyridine-2-thiocarboxamide. The effect of other variables on the cross-coupling reaction, such as temperature, solvent and base, is also reported.

  已经开发出一种简单的方法，可以从N-取代的吡啶-2-硫代羧酰胺配体与PdCl 2（PPh 3）2的反应合成钯（II）配合物。新的络合物在普通溶剂中非常易溶，并且已得到充分表征（元素分析，FT-IR，1 H，31 P，13C-NMR），包括X射线衍射分析。确定了所有配合物的分子结构，并揭示了Pd周围正方形平面几何形状的存在，几乎没有畸变。在电子减活的芳基和杂芳基溴化物的Suzuki偶联中测试了该配合物，发现该配合物具有更大的活性，而在需氧条件下不使用任何促进添加剂或相转移剂。通过改变芳族环上的R取代基可以获得更高的反应速率吡啶-2-硫代羧酰胺。还报道了其他变量对交叉偶联反应的影响，例如温度，溶剂和碱。