pyridine-3-carbaldehyde ; hydrochloride | 65520-07-2

• 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: pyridine-3-carbaldehyde ; hydrochloride
• 英文别名: Pyridin-3-carbaldehyd; Hydrochlorid；pyridine-3-carbonyl hydrochloride；3-Formylpyridinium-hydrochlorid；3-Formylpyridiniumhydrochlorid；Nicotinaldehydehydrochloride；pyridine-3-carbaldehyde;hydrochloride
• CAS: 65520-07-2
• 化学式: C₆H₅NO*ClH
• 分子量: 143.573
• InChiKey: ZDMMTAAULATCPR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.32
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  30
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-{3-[(2-amino[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]-4-methylphenyl}-3-(1-cyano-1-methylethyl)benzamide 、 pyridine-3-carbaldehyde ; hydrochloride 在 吡啶 作用下， 反应 3.0h， 以97%的产率得到N-{6-[5-({[3-(1-cyano-1-methylethyl)phenyl]carbonyl}amino)-2-methylphenoxy][1,2,4]triazolo[1,5-a]pyridin-2-yl}pyridine-3-carboxamide
  参考文献：
  名称：

  WO2008/150015

  摘要：

  公开号：
• 作为产物：
  描述：

  3-吡啶甲醇盐酸盐 在 cucurbit[8]uril 、 2-碘酰基苯甲酸 作用下， 以 水 为溶剂， 生成 pyridine-3-carbaldehyde ; hydrochloride
  参考文献：
  名称：

  底物对葫芦[8]尿素催化氧化芳基醇的取代作用

  摘要：

  基于藜芦醇，邻碘氧基苯甲酸（IBX）和葫芦[8]尿素（Q [8]）之间的三元主客体包合配合物的形成，底物取代基对IBX氧化芳基醇至芳烃的影响描述了在水性溶剂中通过Q [8]超分子催化的相应醛。对电子具有不同取代基作用的芳基醇，例如2,3,4-甲氧基苄基醇和2,3,4-吡啶甲醇甲醇盐酸盐，已经过IBX流程在室温下，在不存在和存在Q [8]的情况下氧化。Q [8]的催化能力表明，取代基对芳醇的α-碳的电子效应对于Q [8]的催化氧化至关重要，并从机理上建议Q [8]的超分子催化作用是：对醇的贡献主要是对取代基的负诱导作用。

  DOI：

  10.1016/j.molcata.2013.03.010

文献信息

• FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF
  申请人：OGURO Yuya

  公开号：US20090163488A1

  公开（公告）日：2009-06-25

  A compound represented by the formula (I): wherein Z 1 , Z 2 , Z 3 and Z 4 are the following combination, (Z 1 ,Z 2 ,Z 3 ,Z 4 )=(CR 4 ,N,CR 5 ,C), (N,N,CR 5 ,C), (N,C,CR 5 ,N), (S,C,CR 5 ,C) or (S,C,N,C); R 1 and R 2 are the same or different and each is (1) a hydrogen atom, (2) a halogen atom, (3) a group bonded via a carbon atom, (4) a group bonded via a nitrogen atom, (5) a group bonded via an oxygen atom or (6) a group bonded via a sulfur atom; R 3 is an amino optionally having substituent(s); R 4 and R 5 are the same or different and each is (1) a hydrogen atom, (2) a halogen atom, (3) a group bonded via a carbon atom, (4) a group bonded via a nitrogen atom, (5) a group bonded via an oxygen atom or (6) a group bonded via a sulfur atom; R 3 and R 4 optionally form a ring optionally having substituent(s); and a group represented by the formula is a cyclic group optionally having substituent(s), or a salt thereof.

  化合物的分子式为（I）：其中Z1，Z2，Z3和Z4是以下组合，（Z1，Z2，Z3，Z4）=（CR4，N，CR5，C），（N，N，CR5，C），（N，C，CR5，N），（S，C，CR5，C）或（S，C，N，C）; R1和R2相同或不同，每个都是（1）氢原子，（2）卤原子，（3）通过碳原子键合的基团，（4）通过氮原子键合的基团，（5）通过氧原子键合的基团或（6）通过硫原子键合的基团; R3是氨基，可以有取代基; R4和R5相同或不同，每个都是（1）氢原子，（2）卤原子，（3）通过碳原子键合的基团，（4）通过氮原子键合的基团，（5）通过氧原子键合的基团或（6）通过硫原子键合的基团; R3和R4可以选择形成一个环，也可以有取代基; 以及由公式表示的基团是一个环状基团，可以有取代基，或其盐。
• PIPERIDYLPYRIMIDINE DERIVATIVES AS MODULATORS OF PROTEIN KINASE INHIBITORS AND OF VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2
  申请人：Allergan, Inc.

  公开号：US20160102088A1

  公开（公告）日：2016-04-14

  This invention is directed to a compound of Formula I or a pharmaceutically acceptable salt thereof, wherein X, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 and R 7 are as defined herein. The compounds of Formula I are useful as protein kinase (PK) inhibitors and can be used to treat such diseases as cancer, blood vessel proliferative disorders, fibrotic disorders, mesangial cell proliferative disorders, metabolic diseases inflammatory disorders and neurodegenerative disorders.

  本发明涉及式I的化合物或其药学上可接受的盐，其中X、R1、R2、R3、R4、R5、R6和R7如本文所定义。式I的化合物可用作蛋白激酶（PK）抑制剂，并可用于治疗癌症、血管增殖性疾病、纤维化性疾病、系膜细胞增殖性疾病、代谢性疾病、炎症性疾病和神经退行性疾病等疾病。
• Studies on the diastereoselective allylation of aldehydes with enantiopure 2-sulfinylallyl building blocks
  作者：Francesc Márquez、Amadeu Llebaria、Antonio Delgado

  DOI：10.1016/s0957-4166(01)00266-x

  日期：2001.7

  A comparative study on the allylation of aldehydes with enantiopure (S-S)-2-(p-tolylsulfonyl)-prop-2-en-1-ol (S-S)-1a and the corresponding chloride (S-S)-1b under two different reaction systems is reported. In general, better yields were obtained from chloride (S-S)-1b, whereas higher diastereoinduction was observed from alcohol (S-S)-1a. The sense of diastereoinduction is the same in both systems and the stereochemistry of the major diastereomer has been determined. Moreover, the configurational stability of the sulfoxide group on the resulting sulfinyl homoallylic alcohols 3 has been proven in each reaction system. which demonstrates the efficiency of the sulfoxide group as chiral auxiliary in these allylation processes. Finally. as an example of the synthetic potential of the resulting adducts, a total synthesis of natural enantioenriched (S)-nicotine from sulfinylalcohol 3h is reported, (C) 2001 Elsevier Science Ltd. All rights reserved.
• HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP2162445A1

  公开（公告）日：2010-03-17
• NEW BICYCLIC DERIVATIVES
  申请人：F.Hoffmann-La Roche AG

  公开号：EP2900669A1

  公开（公告）日：2015-08-05