2,6-dioctylpyridine | 47241-48-5

• 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: 2,6-dioctylpyridine
• CAS: 47241-48-5
• 化学式: C₂₁H₃₇N
• 分子量: 303.531
• InChiKey: IARIVDQPXIQGSO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.6
• 重原子数：
  22
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.76
• 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：

  2,6-dioctylpyridine 、 三氟甲烷磺酸甲酯 以 二氯甲烷 为溶剂， 以53%的产率得到1-Methyl-2,6-dioctylpyridin-1-ium;trifluoromethanesulfonate
  参考文献：
  名称：

  Strategies To Reduce hERG K⁺Channel Blockade. Exploring Heteroaromaticity and Rigidity in Novel Pyridine Analogues of Dofetilide

  摘要：

  Drug-induced blockade of the human ether-a-go-go-related gene K+ channel (hERG) represents one of the major antitarget concerns in pharmaceutical industry. SAR studies of this ion channel have shed light on the structural requirements for hERG interaction but most importantly may reveal drug design principles to reduce hERG affinity. In the present study, a novel library of neutral and positively charged heteroaromatic derivatives of the class III antiarrhythmic agent dofetilide was synthesized and assessed for hERG affinity in radioligand binding and manual patch clamp assays. Structural modifications of the pyridine moiety, side chain, and peripheral aromatic moieties were evaluated, thereby revealing approaches for reducing hERG binding affinity. In particular, we found that the extra rigidity imposed close to the positively charged pyridine moiety can be very efficient in decreasing hERG affinity.

  DOI：

  10.1021/jm301564f
• 作为产物：
  描述：

  1-辛炔 在 copper(l) iodide 、 trans-bis(triphenylphosphine)palladium dichloride 、 palladium 10% on activated carbon 、 氢气 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 20.0 ℃ 、250.0 kPa 条件下， 反应 0.5h， 生成 2,6-dioctylpyridine
  参考文献：
  名称：

  Strategies To Reduce hERG K⁺Channel Blockade. Exploring Heteroaromaticity and Rigidity in Novel Pyridine Analogues of Dofetilide

  摘要：

  Drug-induced blockade of the human ether-a-go-go-related gene K+ channel (hERG) represents one of the major antitarget concerns in pharmaceutical industry. SAR studies of this ion channel have shed light on the structural requirements for hERG interaction but most importantly may reveal drug design principles to reduce hERG affinity. In the present study, a novel library of neutral and positively charged heteroaromatic derivatives of the class III antiarrhythmic agent dofetilide was synthesized and assessed for hERG affinity in radioligand binding and manual patch clamp assays. Structural modifications of the pyridine moiety, side chain, and peripheral aromatic moieties were evaluated, thereby revealing approaches for reducing hERG binding affinity. In particular, we found that the extra rigidity imposed close to the positively charged pyridine moiety can be very efficient in decreasing hERG affinity.

  DOI：

  10.1021/jm301564f

文献信息

• DONOR-MODIFIED OLEFIN POLYMERIZATION CATALYSTS
  申请人：W.R. GRACE & CO.-CONN.

  公开号：EP1058696A1

  公开（公告）日：2000-12-13
• Catalyst systems of the ziegler-natta type and a method for production thereof
  申请人：Fottinger Klaus

  公开号：US20050075241A1

  公开（公告）日：2005-04-07

  A method for production of catalytic systems of the Ziegler-Natta type is characterised in comprising the following steps: A) bringing an inorganic metal oxide and a magnesium compound of formula MgR n X 2-n into contact, where X=independently, fluorine, chlorine, bromine, iodine, hydrogen, NR 2 , OR, SR, SO 3 R or OC(O)R and R=independently, C 1 -C 20 linear, branched, or cyclic alkyl, a C 2 -C 10 alkenyl, an alkylaryl with 1-10 C atoms in the alkyl group and 6-20 C atoms in the aryl group, or a C 6 -C 18 aryl and n=1 or 2, then, B) bringing the intermediate product obtained in step A) into contact with a halogenating reagent, C) bringing the intermediate product obtained in step B) into contact with a) a tetravalent titanium compound, b) a metallo-organic compound of group 3 of the periodic system and c) optionally, an electron-donor compound and D) washing the product obtained in step C) with an aprotic solvent. The invention further relates to a catalytic system obtained as above and a method for the polymerisation of olefins.
• US6228792B1
  申请人：——

  公开号：US6228792B1

  公开（公告）日：2001-05-08
• [EN] DONOR-MODIFIED OLEFIN POLYMERIZATION CATALYSTS<br/>[FR] CATALYSEURS DE POLYMERISATION D'OLEFINES MODIFIES PAR DONNEUR
  申请人：W.R. GRACE & CO.-CONN.

  公开号：WO1999043722A1

  公开（公告）日：1999-09-02

  (EN) Supported Ziegler-Natta catalyst component adapted for the polymerization of ethylene is provided. More specifically, certain organomagnesium compounds (e.g., dibutylmagnesium) which do not contain an oxygen linkage between the organo moiety and the magnesium are impregnated into a porous inorganic oxide support (e.g., agglomerated silica particles) to form a first reaction product. The first reaction product is halogenated, e.g., with HCl, to convert the organomagnesium derived component to MgCl2 thereby forming a second reaction product. The second reaction product is then treated with a transition metal compound (e.g., TiCl4), a particular type of electron donor (e.g., 2,6-dimethyl pyridine) and optionally at least one Group 2 or 13 organo metal compound (e.g., diethylaluminum chloride). The combination of the particular organomagnesium compounds and electron donor impart a low melt flow ratio and enhanced activity to resulting catalyst component.(FR) L'invention concerne un constituant de catalyseurs Ziegler-Natta sur support adapté à la polymérisation d'éthylène. Plus spécifiquement, certains composés organomagnésiens (par exemple, le dibutylmagnésium) ne contenant pas de liaison oxygène entre la fraction organo et le magnésium sont imprégnés dans un support d'oxyde poreux inorganique (par exemple, des particules de silice agglomérées) afin de former un premier produit de réaction. Le premier produit de réaction est halogéné, par exemple, avec HCI, afin de convertir le composant dérivé d'organomagnésium en MgCl2, formant ainsi un second produit de réaction. Le second produit de réaction est ensuite traité avec un composé métallique de transition (par exemple, TiCl4), un type particulier d'un donneur d'électrons (par exemple, 2,6-diméthylpyridine) et facultativement au moins un composé organométallique des groupes 2 ou 13 (par exemple, le chlorure de diéthylaluminium). La combinaison des composés d'organomagnésium particuliers et du donneur d'électrons confère un rapport de fusion faible et une meilleure activité au constituant de catalyseur obtenu.