methyl 1-phenyl-1H-imidazole-5-carboxylate | CAS 83846-62-2 | Purity 97% (HPLC) | White to off-white crystalline powder, pharmaceutical intermediate

1. Product Overview

Methyl 1-phenyl-1H-imidazole-5-carboxylate (CAS 83846-62-2) is a substituted imidazole ester with the molecular formula C₁₁H₁₀N₂O₂ and molecular weight 202.21 g/mol. It features a phenyl-substituted imidazole core bearing a methyl carboxylate group at the 5‑position, appearing as a white to off‑white crystalline powder at room temperature. This compound is widely supplied as a fine chemical and pharmaceutical intermediate, suitable for laboratory research, process development, and custom synthesis projects. It is soluble in common organic solvents such as DMSO, DMF, ethanol, dichloromethane and chloroform, and only slightly soluble in water.

2. Key Features and Advantages

• High typical purity ≥97% by HPLC with low residual solvent profile, supporting reliable reaction performance in multi‑step syntheses.

• Well‑defined heterocyclic imidazole scaffold with orthogonal ester and N‑phenyl functionalities, enabling flexible derivatization (hydrolysis to acid, amidation, cross‑coupling, etc.).

• Stable crystalline form under recommended storage, facilitating accurate weighing and reproducible scale‑up from mg to kg.

• Available with full documentation package on request: Certificate of Analysis (CoA), NMR/HPLC data, and Safety Data Sheet (SDS).

• Compatible with both batch and flow chemistry platforms; suitable for GMP‑related R&D campaigns when sourced under appropriate quality agreements.

3. Main Applications

• Pharmaceutical intermediate for the synthesis of imidazole‑based active pharmaceutical ingredients (APIs) and related reference standards (e.g. etomidate‑family analogs).

• Heterocyclic building block in medicinal chemistry for designing antimicrobial, antiviral and anticancer lead compounds.

• Ligand precursor for metal–organic frameworks (MOFs) and covalent organic frameworks (COFs) after hydrolysis or further functionalization.

• Academic and industrial research use in heterocyclic chemistry, esterification/amide‑formation studies, and structure–activity relationship (SAR) investigations.

4. Technical Specifications

5. Storage and Handling

Store in a cool, dry place in a tightly sealed original container, protected from moisture, light and heat. For long‑term stability, keep at 2–8 °C in a desiccator or refrigerator; allow package to reach room temperature before opening to prevent condensation. Use in a well‑ventilated area or fume hood. Avoid inhalation of dust or vapors, and prevent contact with skin, eyes and clothing. Wear appropriate personal protective equipment (safety glasses, nitrile gloves, lab coat). Keep away from open flames, strong oxidizers and incompatible reagents (e.g. strong bases at elevated temperature may hydrolyze the ester). Dispose of waste in accordance with local regulations for non‑hazardous organic laboratory chemicals; consult SDS for details.

6. Safety Overview

This substance is not classified as a hazardous material under standard transport regulations (non‑DG for ADR/IMDG/IATA under typical commercial purities), but should still be handled with standard laboratory precautions. May cause mild irritation to eyes, skin and respiratory tract. Not intended for human or veterinary therapeutic use without further purification and regulatory qualification; for research and industrial synthesis only. Always refer to the latest Safety Data Sheet (SDS) provided by the supplier before use. In case of contact, rinse affected area with plenty of water; seek medical attention if irritation persists. Store and use in compliance with local chemical control laws (e.g. REACH where applicable).