Description

Ethyl 4-amino-1-methyl-1H-imidazole-2-carboxylate hydrochloride (CAS No. 180258-46-2) is a high-purity organic compound with the molecular formula C₇H₁₂ClN₃O₂. This hydrochloride salt derivative of an imidazole-based ester is a valuable intermediate in pharmaceutical and biochemical research. The compound features a reactive amino group and an ester moiety, making it suitable for further functionalization in synthetic applications. With a molecular weight of 205.64 g/mol, it is supplied as a white to off-white crystalline powder, ensuring consistent quality for laboratory use. Store in a cool, dry place under inert conditions to maintain stability. Ideal for researchers exploring heterocyclic chemistry, medicinal chemistry, and drug discovery.

Properties

• CAS Number: 180258-46-2
• Complexity: 174
• IUPAC Name: ethyl 4-amino-1-methyl-imidazole-2-carboxylate;hydrochloride
• InChI: InChI=1S/C7H11N3O2.ClH/c1-3-12-7(11)6-9-5(8)4-10(6)2;/h4H,3,8H2,1-2H3;1H
• InChI Key: CQRVNNMJJDJXPE-UHFFFAOYSA-N
• Exact Mass: 205.0618043
• Molecular Formula: C7H12ClN3O2
• Molecular Weight: 205.64
• SMILES: CCOC(=O)C1=NC(=CN1C)N.Cl
• Topological: 70.1
• Monoisotopic Mass: 205.0618043
• Synonyms: ethyl 4-amino-1-methyl-1H-imidazole-2-carboxylate hydrochloride, 850-715-4, 180258-46-2, 4-Amino-1-methyl-1H-imidazole-2-carboxylic acid ethyl ester HCl, 1H-Imidazole-2-carboxylic acid, 4-amino-1-methyl-, ethyl ester, hydrochloride (1:1), ethyl 4-amino-1-methylimidazole-2-carboxylate hydrochloride, MFCD01318760, ethyl 4-amino-1-methylimidazole-2-carboxylate;hydrochloride, 4-amino-1-methylimidazole-2-carboxylic acid ethyl ester hydrochloride, 4-Amino-1-methyl-1H-imidazole-2-carboxylic acid-ethyl ester HCl, 4-Amino-1-methyl-1H-imidazole-2-carboxylic acid ethyl ester hydrochloride, CQRVNNMJJDJXPE-UHFFFAOYSA-N, 4-Amino-1-methyl-1H-imidazole-2-carboxylic acid-ethyl ester . HCl, SCHEMBL1852651, DTXSID10625127, AC4813, AKOS015900933, CS-16529, SY046256, DB-114529, CS-0099802, EN300-1725091, Z2574923459, ethyl4-amino-1-methyl-1H-imidazole-2-carboxylatehydrochloride, 1H-Imidazole-2-carboxylicacid,4-amino-1-methyl-,ethyl ester,hydrochloride(1:1), Ethyl 4-amino-1-methyl-1H-imidazole-2-carboxylate–hydrogen chloride (1/1)

Application

Ethyl 4-amino-1-methyl-1H-imidazole-2-carboxylate hydrochloride serves as a key building block in the synthesis of biologically active molecules, particularly in the development of imidazole-based pharmaceuticals. Its reactive sites enable its use in nucleophilic substitution and coupling reactions, facilitating the creation of novel drug candidates. Researchers also employ this compound in the study of enzyme inhibition and receptor modulation due to its structural similarity to natural imidazole-containing compounds. Additionally, it finds utility in the preparation of ligands for metal-catalyzed reactions and as a precursor for more complex heterocyclic systems.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.