4-Methyl-5-imidazolecarboxaldehyde - ≥99% , CAS No.68282-53-1

CAS: 68282-53-1 Cat. No.: W136827 Peso molecular: 110.11 Número EC: 628-936-0 PubChem CID: 2795887

GRADE & PURITY ≥99%

Synonyms

4-Methyl-1H-imidazole-5-carbaldehyde | 4-Methyl-5-imidazolecarboxaldehyde | 4-Methylimidazole-5-carboxaldehyde | 5-Methylimidazole-4-carboxaldehyde | 5-Methyl-1H-imidazole-4-carbaldehyde | 5-formyl-4-methylimidazole

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

4-Methyl-5-imidazolecarboxaldehyde is an imidazole carboxaldehyde.
Application：
4-Methyl-5-imidazolecarboxaldehyde is suitable for use in the synthesis of the following:
1,3-bis[(4-methyl-5-imidazol-1-yl)ethylideneamino]-propan-2-ol (BIPO).
1,3-bis[(4-methyl-5-imidazol-1-yl)ethylideneamino]propane (BIP).
{acetatoaqua[[(4-methylimidazol-5-yl)methylene]histamine]-copper(II)} perchlorate.
Schiff base condensates with tris(2-aminoethyl)amine (tren) or tris(3-aminopropyl)amine (trpn).
It may be used in the synthesis of the following:
Imidazolate-based metal organic framework (MOF) membrane.
3,11-bis(4-imidazolylmethyl)-7-methyl-3,7,11,17-tetraazabicyclo[11.3.1]hepta-deca-1(17),13,15-triene, a 4-imidazolyl derivative of a 14-membered tetraazamacrocycle.
Cu(II) eight and six coordinate compounds.

Specifications

Sinónimos

4-Methyl-1H-imidazole-5-carbaldehyde | 4-Methyl-5-imidazolecarboxaldehyde | 4-Methylimidazole-5-carboxaldehyde | 5-Methylimidazole-4-carboxaldehyde | 5-Methyl-1H-imidazole-4-carbaldehyde | 5-formyl-4-methylimidazole

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488194022
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194022
• Sonrisas canónicas: CC1=C(N=CN1)C=O
• IUPAC Name: 5-methyl-1H-imidazole-4-carbaldehyde
• InChIKey: KMWCSNCNHSEXIF-UHFFFAOYSA-N
• INCHI: 1S/C5H6N2O/c1-4-5(2-8)7-3-6-4/h2-3H,1H3,(H,6,7)
• Isómeros SMILES: CC1=C(N=CN1)C=O
• WGK Alemania: 3
• PubChem CID: 2795887
• Peso molecular: 110.11

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Carbonylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Carbonylimidazoles
• Alternative Parents: Aryl-aldehydes Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl-aldehyde - Imidazole-4-carbonyl group - Heteroaromatic compound - Vinylogous amide - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aldehyde - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carbonylimidazoles. These are substituted imidazoles in which the imidazole ring bears a carbonyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: Soluble in water, (23 g/L) (25°C).
• Sensibilidad: Air sensitive
• Punto de fusión (°C): 168-170°C
• Peso molecular: 110.110 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 110.048 Da
• Monoisotopic Mass: 110.048 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 94.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Yinyin Peng, Yang Luo, Shuyuan Liu, Yin Cong, Derong Liu, Bowen Hu, Xiaoqin Pu, Guoyuan Yuan, Wei Xiong.  (2025)  Development of a novel MOF-based nanofiber for highly selective removal of cobalt from aqueous solutions.  Environmental Science-Nano,      [PMID:] [10.1039/D4EN01058B]

2. Yin Cong, Peng Yinyin, Li Hongjiang, Yang Guang, Yuan Guoyuan.  (2024)  Facile construction of ZIF-94/PAN nanofiber by electrospinning for the removal of Co(II) from wastewater.  Scientific Reports,  14  (1): (1-11).  [PMID:38172559] [10.1038/s41598-023-50796-9]

3. Mo Chen, lidi Gao, Huiying Liu, Jiawen Yu, Fuquan Zhao, Ming Li Bai, Hongtao Chu, Ming Zhao, Shili Qin.  (2025)  Separation of dithiothreitol and dithioerythritol by an open tubular capillary electrochromatographic column with a MOF modified by histidine as stationary phase.  Analytical Methods,      [PMID:40126891] [10.1039/D5AY00097A]