2-iodo-N-methylpyridinium iodide | 1668-06-0

• 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-iodo-N-methylpyridinium iodide
• 英文别名: 2-Iodo-1-methylpyridin-1-ium;iodide
• CAS: 1668-06-0
• 化学式: C₆H₇IN*I
• 分子量: 346.937
• InChiKey: DNLCKLGEGRKRIC-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.88
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  3.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-benzyloxyacetamide 、 2-iodo-N-methylpyridinium iodide 在 copper(I) oxide 、 potassium carbonate 、 丁烷-2,3-二胺 作用下， 以 乙腈 为溶剂， 反应 16.0h， 以58%的产率得到(Z)-1-methylpyridin-2(1H)-one O-benzyl oxime
  参考文献：
  名称：

  铜催化交叉偶联法合成N-吡啶基羟胺

  摘要：

  摘要 N-吡啶基羟胺衍生物是通过正交官能化的羟胺与碘吡啶的铜催化交叉偶联制备的。可以耐受各种氨基和羟基保护基。总共合成了20个实例，产率为28-90％。 N-吡啶基羟胺衍生物是通过正交官能化的羟胺与碘吡啶的铜催化交叉偶联制备的。可以耐受各种氨基和羟基保护基。总共合成了20个实例，产率为28-90％。

  DOI：

  10.1055/s-0037-1611836
• 作为产物：
  描述：

  2-氯吡啶 、 碘甲烷 生成 2-iodo-N-methylpyridinium iodide
  参考文献：
  名称：

  Fischer,O., Chemische Berichte, 1899, vol. 32, p. 1300

  摘要：

  DOI：

文献信息

• Indole compounds and use thereof
  申请人：Glaxo Group Limited

  公开号：US04252803A1

  公开（公告）日：1981-02-24

  Compounds are disclosed of general formula (I): ##STR1## wherein R.sub.1 and R.sub.2 each independently represents a hydrogen atom, or an aryl, aralkyl, cycloalkyl, fluoroalkyl or alkyl group, which alkyl group is optionally substituted by an alkenyl group or by a group -OR.sub.7 or by ##STR2## where R.sub.7 and R.sub.8 each independently represents a hydrogen atom, an alkyl, aryl or aralkyl group; or R.sub.1 and R.sub.2 together with the nitrogen atom to which they are attached form a saturated monocyclic 5 to 7 membered ring which may contain a further hetero function (viz--O--, --NH or ##STR3## R.sub.3 and R.sub.4 have the same meanings as R.sub.1 and R.sub.2 and may together form an aralkylidene group; R.sub.5 represents a hydrogen atom or an alkyl or aralkyl group; R.sub.6 represents a hydrogen atom or an aryl or C.sub.1 -C.sub.3 alkyl group; Alk represents an C.sub.1 -C.sub.4 alkylene group optionally substituted at one or more of its carbon atoms by one to three C.sub.1 -C.sub.3 alkyl groups; and X represents an oxygen or sulphur atom, and its physiologically acceptable salts, hydrates and bioprecursors. The indoles (I) may be prepared by combinations of reactions to introduce the desired substituents into suitable intermediates either before or after cyclization to form the indole nucleus. The compounds have selective actions on blood vessels and, in particular exhibit antihypertensive properties. They may be formulated in conventional manner as pharmaceutical compositions.

  化合物的通用结构式（I）已披露如下：##STR1## 其中，R.sub.1和R.sub.2各自独立地代表氢原子，或芳基、芳基烷基、环烷基、氟烷基或烷基基团，该烷基基团可选择地被烯基基团或基团-OR.sub.7或##STR2##所取代，其中R.sub.7和R.sub.8各自独立地代表氢原子、烷基、芳基或芳基烷基；或者R.sub.1和R.sub.2与它们连接的氮原子一起形成饱和的单环5到7成员环，该环可能包含进一步的杂原子功能（即-O-，-NH或##STR3## R.sub.3和R.sub.4的含义与R.sub.1和R.sub.2相同，它们可以一起形成芳基烷基亚甲基基团；R.sub.5代表氢原子或烷基或芳基烷基基团；R.sub.6代表氢原子或芳基或C.sub.1 -C.sub.3烷基基团；Alk代表一个C.sub.1 -C.sub.4烷基基团，该烷基基团在其一个或多个碳原子上可以被一个到三个C.sub.1 -C.sub.3烷基基团取代；X代表氧原子或硫原子，以及其生理上可接受的盐、水合物和生物前体。这些吲哚（I）可以通过反应的组合制备，将所需的取代基引入适当的中间体，无论是在环化形成吲哚核之前还是之后。这些化合物对血管具有选择性作用，特别表现出降压性能。它们可以按照传统方式制备成药物组合物。
• Reactivity in the nucleophilic aromatic substitution reactions of pyridinium ions
  作者：Jeannette T. Bowler、Freeman M. Wong、Scott Gronert、James R. Keeffe、Weiming Wu

  DOI：10.1039/c4ob00946k

  日期：——

  The “element effect” in nucleophilic aromatic substitution reactions (SNAr) is characterized by the leaving group order, L = F > NO2 > Cl ≈ Br > I, in activated aryl substrates. A different leaving group order is observed in the substitution reactions of ring-substituted N-methylpyridinium compounds with piperidine in methanol: 2-CN ≥ 4-CN > 2-F ∼ 2-Cl ∼ 2-Br ∼ 2-I. The reactions are second-order in

  亲核芳香族取代反应 (S N Ar) 中的“元素效应”以离去基团顺序为特征，L = F > NO 2 > Cl ≈ Br > I，在活化的芳基底物中。在环取代的N的取代反应中观察到不同的离去基团顺序-甲基吡啶鎓化合物与哌啶的甲醇溶液：2-CN ≥ 4-CN > 2-F ∼ 2-Cl ∼ 2-Br ∼ 2-I。[哌啶]中的反应是二级反应，其机制涉及确定哌啶和底物-哌啶加成中间体之间氢键形成的速率，然后该中间体去质子化。计算结果表明，氢键复合物的去质子化可能是无障碍的，并且伴随着 L = Cl、Br 和 I 的离去基团 (E2) 同时丢失，但随后离去基团迅速丢失（ E1cB-like) 对于较差的离去基团 CN 和 F。2-和 4-氰基底物的反应性提高了大约 50 倍，这归因于去质子化步骤中吸电子氰基的影响。
• THERAPEUTIC AGENT COMPRISING GLYCOLIPID DERIVATIVE CAPABLE OF INHIBITING THE FUNCTION OF NKT CELL AS ACTIVE INGREDIENT
  申请人：Japan as represented by President of National Center of Neurology and Psychiatry

  公开号：EP1952814A1

  公开（公告）日：2008-08-06

  A therapeutic drug for diseases, in which NKT cells or stimulus of NKT cells is involved in deterioration of disease conditions, containing, as an active ingredient, a glycolipid derivative having the formula (I): wherein R1 indicates an aldopyranose residue, R2 indicates a hydrogen atom or a hydroxy group, A indicates -CH2-, -CH(OH)-CH2- or -CH=CHCH2-, x indicates an integer of 13 to 16 and y indicates an integer of 0 to 25 or its pharmacologically acceptable hydrate or solvate.

  一种治疗疾病的药物，其中NKT细胞或NKT细胞的刺激参与了疾病状况的恶化，包含一种具有以下式（I）的糖脂衍生物作为活性成分：其中R1表示醛基吡喃糖残基，R2表示氢原子或羟基，A表示-CH2-，-CH（OH）-CH2-或-CH=CHCH2-，x表示13至16的整数，y表示0至25的整数，或其药理学上可接受的水合物或溶剂化合物。
• Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof
  申请人：——

  公开号：US20030139447A1

  公开（公告）日：2003-07-24

  There is provided an aminophenoxyacetamide derivative of the formula (I): wherein, R 1 to R 4 are, independent from each other, hydrogen atom; optionally substituted alkyl group; E 1 is —NR 4 — and E 2 is oxygen atom or —NR 10 ; Q is group —X—Y—Q′ (X and Y are connecting bond; X is alkylene or alkenylene group, etc.; Y is selected from the groups consisting of C═O, NHC(═O), C(═O)NH, etc.; Q′ is hydrogen atom or pheny, pyridyl groups which may be substituted, etc.), or a pharmaceutically acceptable salt thereof. These compounds have neuroprotective effect by introducing the CalbindinD-28k, one of Ca 2+ -binding proteins. 11

  提供了一种氨基苯氧乙酰胺衍生物，其化学式为(I)：其中，R1至R4独立地为氢原子；可选择取代的烷基基团；E1为—NR4—，E2为氧原子或—NR10；Q为基团—X—Y—Q′（X和Y为连接键；X为烷基或烯基基团等；Y选自由C═O、NHC(═O)、C(═O)NH等组成的基团；Q′为氢原子或苯基、可取代的吡啶基团等），或其药学上可接受的盐。这些化合物通过引入钙结合蛋白之一的CalbindinD-28k具有神经保护作用。
• Naphtho(1,8-bc)-1,5-thiazocinones
  申请人：Hoffmann-La Roche Inc.

  公开号：US04640930A1

  公开（公告）日：1987-02-03

  A compound of the formula ##STR1## wherein R.sub.1 is phenyl substituted with 1 to 3 lower alkoxy groups, or 1 to 3 halogens; R.sub.2 is hydroxy or lower alkanoyloxy; R.sub.3 and R.sub.4 are each independently lower alkyl or together form a pyrrolidine or piperidine ring; and n is 2 to 4, and pharmaceutically acceptable acid addition salts thereof are described. The compounds of formula I are active as calcium channel blockers and accordingly, are useful as agents for lowering blood pressure, and as agents for treating ischemia.

  本发明涉及一种化合物，其化学式为##STR1##其中，R.sub.1是苯基，其上取代有1至3个较低的烷氧基或1至3个卤素; R.sub.2是羟基或较低的烷酰氧基; R.sub.3和R.sub.4各自独立地是较低的烷基，或一起形成吡咯烷环或哌嗪环; n为2至4。本发明还涉及该化合物的药学上可接受的酸加盐。化合物I具有钙通道阻滞剂的活性，因此可用作降低血压的药物和治疗缺血的药物。