2-(4-chlorophenyl)-1H-4-imidazolcarbaldehyde | 279251-15-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(4-chlorophenyl)-1H-4-imidazolcarbaldehyde
• 英文别名: 2-(4-chlorophenyl)-4-formyl-1H-imidazole；2-(4-chlorophenyl)-1H-imidazole-4-carbaldehyde；2-(4-chlorophenyl)-1H-imidazole-5-carbaldehyde
• CAS: 279251-15-9
• 化学式: C₁₀H₇ClN₂O
• mdl: MFCD14583165
• 分子量: 206.631
• InChiKey: VGVWJBPVCVTHNB-UHFFFAOYSA-N

物化性质

• 熔点：
  207 °C
• 沸点：
  439.6±25.0 °C(Predicted)
• 密度：
  1.378±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  45.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(4-chlorophenyl)-1H-4-imidazolcarbaldehyde 在 四氢吡咯 、 甲醇 、 sodium tetrahydroborate 、 铁粉 、 溶剂黄146 、 三氟乙酸 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 水 为溶剂， 反应 8.5h， 生成 N-(2-(2-(4-chlorophenyl)-1H-imidazol-4-yl)ethyl)butyramide
  参考文献：
  名称：

  [EN] NOVEL IMIDAZOLE COMPOUNDS, PROCESS FOR THE SYNTHESIS AND USES THEREOF
  [FR] NOUVEAUX COMPOSÉS IMIDAZOLES, PROCÉDÉ DE SYNTHÈSE ET D'UTILISATIONS ASSOCIÉ

  摘要：

  本发明涉及新型药物代理和其制备过程。本发明揭示了一般式I的化合物，以及它们的制备过程。本发明的化合物在治疗和预防与细胞应激介导的免疫失调和失衡有关的疾病方面具有用途，包括自身免疫疾病、癌症、代谢性疾病、皮肤病、心血管疾病和神经退行性疾病。

  公开号：

  WO2020089844A1
• 作为产物：
  描述：

  4-chloro-N-(isoxazol-4-yl)benzamide 在 氢气 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 10.0h， 生成 2-(4-chlorophenyl)-1H-4-imidazolcarbaldehyde
  参考文献：
  名称：

  Highly Efficient, Environment-Friendly, One-Pot Synthesis of 2-Substituted 4-Formylimidazoles from 4-Acylaminoisoxazoles

  摘要：

  A highly efficient and environment-friendly one-pot synthesis of 2-substituted 4-formylimidazoles was accomplished. Raney nickel catalyzed hydrogenation of 4-acylaminoisoxazoles in ethanol, followed by sodium hydroxide promoted recyclization of the ring-opened intermediates, afforded the functionalized imidazoles.

  DOI：

  10.1055/s-0034-1379201

文献信息

• [EN] IMIDAZOLYL-IMIDAZOLES AS KINASE INHIBITORS<br/>[FR] IMIDAZOLYL-IMIDAZOLES EN TANT QU'INHIBITEURS DE KINASE
  申请人：GLAXO GROUP LTD

  公开号：WO2011123609A1

  公开（公告）日：2011-10-06

  Disclosed are compounds having the formula: wherein R1A, R1B, R2 and R3 are as defined herein, and methods of making and using the same.

  揭示了具有以下公式的化合物：其中R1A、R1B、R2和R3如本文所定义，并且制备和使用这些化合物的方法。
• IMIDAZOLYL-IMIDAZOLES AS KINASE INHIBITORS
  申请人：Bodmer Vera Q.

  公开号：US20130018039A1

  公开（公告）日：2013-01-17

  Disclosed are compounds having the formula: wherein R 1A , R 1B , R 2 and R 3 are defined herein, and methods of making and using the same.

  本发明涉及具有以下式的化合物：其中R1A，R1B，R2和R3如本文所定义，并且涉及其制备和使用的方法。
• 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。
• Synthesis, Structure, and Neuroprotective Properties of Novel Imidazolyl Nitrones
  作者：Alain Dhainaut、André Tizot、Eric Raimbaud、Brian Lockhart、Pierre Lestage、Solo Goldstein

  DOI：10.1021/jm991154w

  日期：2000.6.1

  A new series of imidazolyl nitrones spin traps has been synthesized and evaluated pharmacologically. The salient structural feature of these molecules is the presence of an imidazole moiety substituted by aromatic or heteroaromatic cycles. This connectivity imparts to the nitrone superior neuroprotective properties in vivo and in parallel reduced side effects and toxicity. Thus compound 6a (a 2-phenylimidazolyl nitrone) administered intraperitoneally protects (80%) mice from lethality induced by an intracerebroventricular administration of tert-butyl hydroperoxide (t-BHP) an oxidant capable of inducing neurodegenerative processes. Administration of the archetypal nitrone phenyl-tert-butyl nitrone (PBN) at an equimolar dose also affords some protection (60%) in this test. However, this activity is accompanied by hypothermia, whereas no such effect is apparent for 6a. Moreover, previously prepared nonsubstituted or alkyl-substituted imidazolyl nitrones were shown to be extremely toxic to rats in contrast to the compounds prepared in this study. The observed activities in vivo correlate well with the calculated partition coefficients (ClogP) and HOMO energy level.
• BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES
  申请人：Nuevolution A/S

  公开号：EP2558577B1

  公开（公告）日：2018-12-12