3-(4-Methoxy-phenyl)-1-methyl-1H-pyrazole-4-carbaldehyde | 304477-42-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(4-Methoxy-phenyl)-1-methyl-1H-pyrazole-4-carbaldehyde
• 英文别名: 3-(4-Methoxyphenyl)-1-methyl-1H-pyrazole-4-carbaldehyde；3-(4-methoxyphenyl)-1-methylpyrazole-4-carbaldehyde
• CAS: 304477-42-7
• 化学式: C₁₂H₁₂N₂O₂
• 分子量: 216.239
• InChiKey: CIWYEGHUTITAFG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(4-Methoxy-phenyl)-1-methyl-1H-pyrazole-4-carbaldehyde 在 三氯氧磷 作用下， 以 甲醇 、 溶剂黄146 为溶剂， 反应 2.0h， 生成 (Dimethyl-hydrazono)-[3-(4-methoxy-phenyl)-1-methyl-1H-pyrazol-4-yl]-acetaldehyde
  参考文献：
  名称：

  Aza-enamines X:Formylation of Pyrazole-4-carbaldehydeHydrazones at the Hydrazonoazomethine C-Atom

  摘要：

  1,3-双取代的1H-吡唑-4-甲醛-N,N-二甲基脲1与Vilsmeier-Haack试剂反应，符合氮杂烯胺概念，通过在偶氮甲碱C原子上的亲电取代反应生成了1,4,5-三氮杂戊二烯盐2。这些产物经水解得到2-腙基-2-(1H-吡唑-4-基)乙醛3。亲电攻击并未发生在吡唑的乙烯相似位点5′上。

  DOI：

  10.1055/s-2003-40527
• 作为产物：
  描述：

  [3-(4-Methoxy-phenyl)-1-methyl-1H-pyrazol-4-ylmethylene]-dimethyl-ammonium; perchlorate 在 碳酸氢钠 作用下， 以 乙醚 为溶剂， 反应 3.0h， 以90%的产率得到3-(4-Methoxy-phenyl)-1-methyl-1H-pyrazole-4-carbaldehyde
  参考文献：
  名称：

  Brehme; Gruendemann; Schneider, Journal fur Praktische Chemie (Weinheim), 2000, vol. 342, # 7, p. 700 - 706

  摘要：

  DOI：

文献信息

• [EN] AGENT FOR PREVENTING OR TREATING NEUROPATHY<br/>[FR] AGENT POUR LA PRÉVENTION OU LE TRAITEMENT DE NEUROPATHIE
  申请人：TAKEDA CHEMICAL INDUSTRIES LTD

  公开号：WO2004039365A1

  公开（公告）日：2004-05-13

  The present invention provides an agent for preventing or treating neuropathy having superior action and low toxicity. This agent comprises a compound represented by the formula:wherein ring A is a 5-membered aromatic heterocycle containing 2 or more nitrogen atoms, which may further have substituent(s);B is an optionally substituted hydrocarbon group or an optionally substituted heterocyclic group;X is a divalent acyclic hydrocarbon group;Z is -O-, -S-, -NR2-, -CONR2- or -NR2CO- (R2 is a hydrogen atom or an optionally substituted alkyl group);Y is a bond or a divalent acyclic hydrocarbon group;R1 is an optionally substituted cyclic group, an optionally substituted amino group or an optionally substituted acyl group, provided that when the 5-membered aromatic heterocycle represented by ring A is imidazole, then Z should not be -O-, or a salt thereof.

  本发明提供了一种具有优越作用和低毒性的预防或治疗神经病的药剂。该药剂包括一个由以下式表示的化合物：其中环A是含有2个或更多氮原子的5元芳香杂环，可能进一步具有取代基；B是一个可选择取代的碳氢基团或可选择取代的杂环基团；X是二价的无环碳氢基团；Z是-O-，-S-，-NR2-，-CONR2-或-NR2CO-（R2是氢原子或可选择取代的烷基基团）；Y是键或二价的无环碳氢基团；R1是可选择取代的环基团，可选择取代的氨基团或可选择取代的酰基团，但当环A表示的5元芳香杂环是咪唑时，Z不应为-O-，或其盐。
• AGENT FOR PREVENTING OR TREATING NEUROPATHY
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1556032A1

  公开（公告）日：2005-07-27
• BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES
  申请人：Nuevolution A/S

  公开号：EP2558577A1

  公开（公告）日：2013-02-20
• [EN] BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES<br/>[FR] COMPLEXES BIFONCTIONNELS ET PROCÉDÉS DE FABRICATION ET D'UTILISATION DE TELS COMPLEXES
  申请人：NUEVOLUTION AS

  公开号：WO2011127933A1

  公开（公告）日：2011-10-20

  The present invention is directed to a method for the synthesis of a bi-functional complex comprising a molecule part and an identifier oligonucleotide part identifying the molecule part. A part of the synthesis method according to the present invention is preferably conducted in one or more organic solvents when a nascent bi-functional complex comprising an optionally protected tag or oligonucleotide identifier is linked to a solid support, and another part of the synthesis method is preferably conducted under conditions suitable for enzymatic addition of an oligonucleotide tag to a nascent bi-functional complex in solution.
• Aza-enamines X:Formylation of Pyrazole-4-carbaldehydeHydrazones at the Hydrazonoazomethine C-Atom
  作者：R. Brehme、E. Gründemann、M. Schneider、R. Radeglia、G. Reck、B. Schulz

  DOI：10.1055/s-2003-40527

  日期：——

  1,3-Disubstituted 1H-pyrazole-4-carbaldehyde-N,N-di­methylhydrazones 1 reacted with the Vilsmeier-Haack reagent, corresponding to the aza-enamine concept, in an electrophilic substitution reaction at the azomethine C-atom yielding the 1,4,5-triaza-pentadienium salts 2. These were hydrolysed to give 2-hydrazono-2-(1H-pyrazole-4-yl)ethanals 3. The electrophilic attack did not take place at the vinylogous position 5′ of the pyrazoles.

  1,3-双取代的1H-吡唑-4-甲醛-N,N-二甲基脲1与Vilsmeier-Haack试剂反应，符合氮杂烯胺概念，通过在偶氮甲碱C原子上的亲电取代反应生成了1,4,5-三氮杂戊二烯盐2。这些产物经水解得到2-腙基-2-(1H-吡唑-4-基)乙醛3。亲电攻击并未发生在吡唑的乙烯相似位点5′上。