Atomfair 5-(1-(2,3-dimethylphenyl)vinyl)-1H-imidazole C13H14N2 CAS 1021949-47-2

Description

5-(1-(2,3-dimethylphenyl)vinyl)-1H-imidazole (CAS No. 1021949-47-2) is a high-purity organic compound with the molecular formula C₁₃H₁₄N₂. This specialized chemical features an imidazole core substituted with a 1-(2,3-dimethylphenyl)ethenyl group, making it a valuable intermediate for pharmaceutical research and heterocyclic chemistry applications. The compound is supplied as a solid with ≥95% purity (HPLC) and is characterized by NMR and mass spectrometry for quality assurance. Ideal for medicinal chemistry, this building block offers potential in the development of novel bioactive molecules targeting enzyme inhibition or receptor modulation. Proper storage at 2-8°C under inert atmosphere is recommended to maintain stability.

Properties

• CAS Number: 1021949-47-2
• Complexity: 237
• IUPAC Name: 5-[1-(2,3-dimethylphenyl)vinyl]-1H-imidazole
• InChI: InChI=1S/C13H14N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8H,3H2,1-2H3,(H,14,15)
• InChI Key: YJOFSWIMUJKAGV-UHFFFAOYSA-N
• Exact Mass: 198.115698455
• Molecular Formula: C13H14N2
• Molecular Weight: 198.26
• SMILES: CC1=C(C(=CC=C1)C(=C)C2=CN=CN2)C
• Topological: 28.7
• Monoisotopic Mass: 198.115698455
• Synonyms: 5-(1-(2,3-Dimethylphenyl)vinyl)-1H-imidazole, 5-[1-(2,3-dimethylphenyl)vinyl]-1h-imidazole, 694-900-6, 1021949-47-2, 5-[1-(2,3-Dimethylphenyl)ethenyl]-1H-imidazole, 1H-Imidazole, 5-[1-(2,3-dimethylphenyl)ethenyl]-, 5-(1-(2,3-DIMETHYLPHENYL)ETHENYL)-1H-IMIDAZOLE, 1H-IMIDAZOLE, 5-(1-(2,3-DIMETHYLPHENYL)ETHENYL)-, MFCD13180466, Medetomidine Impurity 3, 7SK8C5THR9, SCHEMBL2203628, SCHEMBL3976340, DTXSID40445693, AKOS006319069, AKOS015919708, AC-27009, AS-47062, FD155193, DB-358514, CS-0196461, F11827, 4-(1-(2,3-dimethylphenyl)vinyl)-1h-imidazole

Application

This compound serves as a key synthetic intermediate in medicinal chemistry, particularly for developing small molecule therapeutics targeting inflammatory pathways. Researchers utilize it in structure-activity relationship studies of imidazole-containing drug candidates. The vinyl aromatic moiety enables further functionalization through cross-coupling reactions or cyclization strategies. It has shown preliminary activity in biochemical assays involving cytochrome P450 enzymes.

Safety and Hazards

GHS Hazard Statements

• H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
• H362 (100%): May cause harm to breast-fed children [Reproductive toxicity, effects on or via lactation]

Precautionary Statements

• P203, P260, P263, P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P318, P321, P330, P337+P317, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (100%)
• Eye Irrit. 2 (100%)
• Repr. 2 (100%)
• Lact. (100%)

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