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Methyl 5-chloropyrazine-2-carboxylate
1. Basic Information
Name: Methyl 5-chloropyrazine-2-carboxylate
Alias: 5-Chloro-2-pyrazinecarboxylic acid methyl ester
CAS No.: 33332-25-1
Molecular Formula: C6H5ClN2O2
Molecular Weight: 172.57
Category: Chloropyrazine heterocyclic intermediate, pharmaceutical API building block, pesticide bactericide synthetic raw material
2. Physical and Chemical Properties
Physical Properties
- Appearance: White to off-white crystalline powder
- Odor: Faint heterocyclic ester odor
- Solubility: Soluble in DCM, THF, ethanol, methanol, toluene, DMF; slightly soluble in cold water; insoluble in alkane solvents
- Melting Point: 54–58 ℃
- Density (predicted): 1.39 g/cm3
- Hygroscopy: Non-hygroscopic under normal ambient humidity
- Aqueous property: Neutral compound; ester group hydrolyzes under strong acid/alkali heating to produce 5-chloropyrazine-2-carboxylic acid
Chemical Properties
- Molecular structure: Pyrazine six-membered nitrogen heterocycle, Cl at C5, methyl carboxylate at C2; dual reactive sites of aryl chloride and methyl ester
- Ester hydrolysis & derivatization: Methyl ester can be hydrolyzed to carboxylic acid, amidated to carboxamide, reduced to hydroxymethyl group for drug side chain construction
- Aryl chloride nucleophilic substitution: C5 chlorine undergoes SNAr reaction with amines, alcohols, thiols to introduce various functional substituents
- Heterocycle stability: Pyrazine ring stable under neutral/weak acid conditions; strong oxidants trigger ring oxidation
- Thermal stability: Stable below 100 ℃; long-time heating above melting point causes slight ester decomposition
- Photostability: Slightly light-sensitive; long-term UV irradiation turns pale yellow
- Compatibility: Compatible with common anhydrous organic solvents; incompatible with concentrated strong alkali, strong oxidants
3. Main Application Fields
1. Pharmaceutical Heterocyclic Intermediate (Core Application)
Key fragment for synthesizing anti-tumor, anti-inflammatory, antibacterial small molecule drugs; pyrazine core is widely used in central nervous system and metabolic disease APIs
2. Agricultural Pesticide Intermediate
Raw material for pyrazine-series fungicides, plant growth regulators, broad-spectrum crop bactericides
3. Organic Synthesis Laboratory Reagent
Standard substrate for nucleophilic aromatic substitution and ester functional group transformation research
4. Quality Specification Table
| Test Item | Standard Specification |
| CAS Number | 33332-25-1 |
| Molecular Formula | C6H5ClN2O2 |
| Appearance | Uniform white crystal without yellow impurities |
| HPLC Purity | Synthetic Intermediate Grade ≥98.5% |
| Melting Point | 54–58 ℃ |
| Water Content (KF) | ≤0.15% |
| Residue on Ignition | ≤0.10% |
| Single Unknown Impurity | ≤0.10% |
| Heavy Metals (Pb) | ≤10 ppm |
| Packaging | 100g/1kg amber light-proof aluminum foil vacuum bag, 25kg PE lined fiber drum |
| Storage Condition | Hermetically sealed cool dry warehouse below 25 ℃, light shielding, isolate alkaline raw materials and oxidants |
| Transportation Requirement | Slightly light-sensitive chloropyrazine crystal, conventional moisture-proof sealed packaging |
| Shelf Life | 24 months under nitrogen vacuum sealed storage |
Safety Warning
Mild irritant chlorinated heterocyclic crystalline powder. Dust irritates eyes, nasal and respiratory mucosa; long-term skin contact may cause slight allergic itching. All operations in ventilated fume hood with dust mask, splash-proof goggles and chemical-resistant nitrile gloves. Avoid heating with strong alkali to prevent ester hydrolysis. Waste liquid diluted and treated before discharge; solid waste classified as halogen-containing organic hazardous waste for professional disposal.
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