β-(4-formyl-3,5-dimethyl-1H-pyrazol-1-yl)propionic acid | 949020-61-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: β-(4-formyl-3,5-dimethyl-1H-pyrazol-1-yl)propionic acid
• 英文别名: 3-(3,5-dimethyl-4-formylpyrazol-1-yl)propanoic acid；3-(4-formyl-3,5-dimethyl-1H-pyrazol-1-yl)propanoic acid；3-(4-formyl-3,5-dimethylpyrazol-1-yl)propanoic acid
• CAS: 949020-61-5
• 化学式: C₉H₁₂N₂O₃
• mdl: MFCD13370136
• 分子量: 196.206
• InChiKey: FKJNKKNNONMCEN-UHFFFAOYSA-N

物化性质

• 熔点：
  119-121 °C(Solv: water (7732-18-5))
• 沸点：
  395.8±42.0 °C(Predicted)
• 密度：
  1.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.444
• 拓扑面积：
  72.2
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  β-(4-formyl-3,5-dimethyl-1H-pyrazol-1-yl)propionic acid 在 potassium permanganate 、 苄基三乙基氯化铵 作用下， 以 水 、 苯 为溶剂， 反应 24.0h， 以48%的产率得到3-(3,5-dimethyl-4-formylpyrazol-1-yl)propanoic acid
  参考文献：
  名称：

  Synthesis of chitosan salt of 1-(2-carboxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid and its anti-burn activity

  摘要：

  DOI：

  10.1134/s1070363215110286
• 作为产物：
  描述：

  methyl β-(4-formyl-3,5-dimethyl-1H-pyrazol-1-yl)propionate 在 水 、 sodium hydroxide 作用下， 反应 3.0h， 生成 β-(4-formyl-3,5-dimethyl-1H-pyrazol-1-yl)propionic acid
  参考文献：
  名称：

  Vilsmeier-Haack formylation of 1H-pyrazoles

  摘要：

  DOI：

  10.1134/s1070363214040331

文献信息

• Bi-functional complexes and methods for making and using such complexes
  申请人：Gouliaev Alex Haahr

  公开号：US11225655B2

  公开（公告）日：2022-01-18

  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.

  本发明涉及一种合成双功能复合物的方法，该复合物包括分子部分和识别分子部分的识别寡核苷酸部分。根据本发明的合成方法的一部分优选在一种或多种有机溶剂中进行，此时包含可选保护标签或寡核苷酸标识符的新生双功能复合物与固体支持物相连接，合成方法的另一部分优选在适合于将寡核苷酸标签酶加到溶液中的新生双功能复合物的条件下进行。
• Vilsmeier-Haak formylation of 3,5-dimethylpyrazoles
  作者：O. S. Attaryan、S. K. Antanosyan、G. A. Panosyan、G. V. Asratyan、S. G. Matsoyan

  DOI：10.1134/s1070363206110260

  日期：2006.11

  Formylation of N-alkyl-3,5-dimethyl-1H-pyrazoles according to Vilsmeier-Haak led to the formation of the corresponding 4-formyl derivatives. 3,5-Dimethyl-1H-pyrazole having no substituent on the nitrogen atom failed to undergo formylation at the 4 position under analogous conditions. 3,5-Dimethyl-1H-pyrazole-4-carbaldehyde was synthesized by alkaline hydrolysis of methyl [3-(4-formyl-3,5-dimethyl-1H-pyrazol-1-yl)propionate and subsequent heating of the acid thus formed.
• 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
• BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES
  申请人：Gouliaev Alex Haahr

  公开号：US20130281324A1

  公开（公告）日：2013-10-24

  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.
• [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.