diethyl (3-pyridyl)borane | 183158-31-8

• 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: diethyl (3-pyridyl)borane
• 英文别名: Boronic acid, 3-pyridinyl-, diethyl ester；diethoxy(pyridin-3-yl)borane
• CAS: 183158-31-8
• 化学式: C₉H₁₄BNO₂
• 分子量: 179.027
• InChiKey: FIYNWUOJCBNBCZ-UHFFFAOYSA-N

物化性质

• 沸点：
  256.0±13.0 °C(Predicted)
• 密度：
  0.97±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.85
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  31.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  diethyl (3-pyridyl)borane 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 甲醇 、 乙二醇二甲醚 、 水 为溶剂， 反应 26.0h， 生成 1-(2'-naphthyl)-8-(1'-methyl-3'-pyridylium)naphthalene iodide
  参考文献：
  名称：

  受约束的界面芳环之间的极性-pi和阳离子-pi稳定相互作用有利于空间受阻的非对映异构体。

  摘要：

  DOI：

  10.1021/jo010537a

文献信息

• Sulfonamide derivatives, their production and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US06359134B1

  公开（公告）日：2002-03-19

  The present invention provides compounds which specifically inhibit FXa, which are effective when orally administered and which are useful as a safe medicine for the prevention or treatment of diseases caused by thrombus or infarction. Compounds of this invention are piperazinones of the formula: wherein R1 is an optionally substituted hydrocarbon group or an optionally substituted heterocyclic group; the ring A is an optionally substituted divalent nitrogen-containing heterocyclic group, in addition to being substituted by the group of the formula: and the group of the formula: Y is an optionally substituted divalent hydrocarbon group or an optionally substituted divalent heterocyclic group; X is a direct bond or an optionally substituted alkylene chain; Z is (1) an amino group substituted with an optionally substituted hydrocarbon group, (2) an optionally substituted imino group or (3) an optionally substituted nitrogen-containing heterocyclic group; provided that when X is a direct bond and Z is an optionally substituted 6-membered nitrogen-containing aromatic heterocyclic group, Y is an optionally substituted divalent hydrocarbon group or an optionally substituted divalent unsaturated heterocyclic group; or a salt thereof.

  本发明提供了一种化合物，该化合物特异性地抑制FXa，口服给药有效，并且用作预防或治疗由血栓或梗死引起的疾病的药物是安全的。本发明的化合物是哌嗪酮的公式： 其中R1是可选地取代的烃基或可选地取代的杂环基；环A是除了被公式：的基团取代的之外的可选地取代的二价含氮杂环基： 和公式的基团： Y是可选地取代的二价烃基或可选地取代的二价杂环基；X是直接键或可选地取代的亚烷基链；Z是（1）与可选地取代的烃基取代的氨基，（2）可选地取代的亚氨基或（3）可选地取代的含氮杂环基；当X是直接键并且Z是可选地取代的6-成员含氮芳香杂环基时，Y是可选地取代的二价烃基或可选地取代的二价不饱和杂环基；或其盐。
• Benzimidazole compounds and their use as modulators of the GABA.sub.A
  申请人：Neurosearch A/S

  公开号：US05922725A1

  公开（公告）日：1999-07-13

  The present patent application discloses compounds having the formula ##STR1## or a pharmaceutically acceptable salt thereof or an oxide thereof wherein R.sup.3 is ##STR2## wherein A, B and D each is CH, or one or two of A, B and D is N and the others are CH; R.sup.11 is phenyl, benzimidazolyl, or monocyclic heteroaryl, all of which may be substituted one or more times with substituents selected from alkyl, alkoxy, halogen, CF.sub.3, amino, nitro, cyano, acylamino, acyl, phenyl and monocyclic heteroaryl; one of R.sup.6 and R.sup.7 is hydrogen and the other is --CR'.dbd.NOR", wherein R' and R" each independently are hydrogen, alkyl, alkenyl, alkynyl or phenyl. The compounds are useful for the treartment of various central nervous system disorders such as epilepsy and other convulsive disorders, anxiety, sleep disorders and memory disorders.

  本专利申请公开了具有以下式子的化合物：##STR1## 或其药学上可接受的盐或氧化物，其中 R.sup.3 是 ##STR2## 其中 A、B 和 D 每个都是 CH，或者 A、B 和 D 中的一个或两个是 N，而其他的是 CH；R.sup.11 是苯基、苯并咪唑基或单环杂环基，这些基团可以被选自烷基、烷氧基、卤素、CF.sub.3、氨基、硝基、氰基、酰胺基、酰基、苯基和单环杂环基的取代基所取代；R.sup.6 和 R.sup.7 中的一个是氢，另一个是 --CR'.dbd.NOR"，其中 R' 和 R" 各自独立地是氢、烷基、烯基、炔基或苯基。这些化合物可用于治疗各种中枢神经系统疾病，如癫痫和其他惊厥性疾病、焦虑症、睡眠障碍和记忆障碍。
• Novel Potent Ligands for the Central Nicotinic Acetylcholine Receptor:  Synthesis, Receptor Binding, and 3D-QSAR Analysis
  作者：Simon Feldbæk Nielsen、Elsebet Østergaard Nielsen、Gunnar M. Olsen、Tommy Liljefors、Dan Peters

  DOI：10.1021/jm990973d

  日期：2000.6.1

  In the past few years the focus on central acetylcholine receptors has shifted from compounds with affinity for muscarinic acetylcholine receptors (mAChR) to compounds with affinity for nicotinic acetylcholine receptors (nAChR). The therapeutic potential includes treatment of a variety of diseases, e.g., Alzheimer's disease, Parkinson's disease, and Tourette's syndrome. This work describes the synthesis of six novel series of potent ligands with nanomolar affinity for the alpha 4 beta 2 nAChR subtype. Structure-activity relationship (SAR) was evaluated by the calculation of a 3D-QSAR model. 3D-QSAR analysis of the compounds using the GRID/GOLPE methodology resulted in a model of high quality (R-2 = 0.97, Q(2) = 0.81). The coefficient plots reveal that the steric interactions between the target and our compounds are of major importance for the affinity. Bulky substituents in the B-position of the pyridine ring will reduce the affinity of the compounds, whereas bulky ring systems including a sp(3)-nitrogen will increase the affinity of the compounds.
• A general route to pyridine-modified salicylaldehydes via Suzuki coupling
  作者：Gregory A. Morris、SonBinh T. Nguyen

  DOI：10.1016/s0040-4039(01)00106-x

  日期：2001.3

  An efficient method for the preparation of 5-(3-pyridyl)- and 5-(4-pyridyl)salicylaldehydes by the palladium-catalyzed cross-coupling reaction of either 4-pyridylboronic acid or diethyl-(3-pyridyl)borane and bromosalicylaldehydes is described. (C) 2001 Published by Elsevier Science Ltd.
• SOMEHI, MASANORI;AMARI, XIROKUNI;MAKITA, JOSIXIKO
  作者：SOMEHI, MASANORI、AMARI, XIROKUNI、MAKITA, JOSIXIKO

  DOI：——

  日期：——