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4-Chloro-2,3-dimethylpyridine 1-oxide
1. Basic Information
Name: 4-Chloro-2,3-dimethylpyridine 1-oxide
Alias: 4-Chloro-2,3-dimethylpyridine N-oxide
CAS No.: 59886-90-7
Molecular Formula: C7H8Cl1N1O1
Molecular Weight: 157.60
Category: Pyridine N-oxide pharmaceutical intermediate, fluoropyridine synthetic building block, fine chemical raw material
2. Physical and Chemical Properties
Physical Properties
- Appearance: Off-white to pale yellow crystalline powder
- Odor: Faint slight pyridine characteristic odor
- Solubility: Soluble in methanol, ethanol, chloroform, acetone; slightly soluble in cold water, insoluble in aliphatic alkanes
- Melting Point: 82–86 ℃
- Density (predicted): 1.24 g/cm3
- Hygroscopy: Slightly hygroscopic under high humidity
- Aqueous property: Weakly neutral aqueous suspension, stable at pH 4–9
Chemical Properties
- Molecular structure: Disubstituted pyridine ring with N-oxide group, methyl groups at C2/C3, chlorine substituent at C4
- N-oxide rearrangement: Pyridine N-oxide group enables selective halogenation, amination rearrangement to construct substituted pyridine fragments
- Nucleophilic substitution: C4 chlorine atom has high reactivity, can be substituted by amines, alcohols to prepare pyridine API intermediates
- Reduction characteristic: N-oxide group can be reduced to remove oxygen and restore parent pyridine skeleton
- Thermal stability: Stable below 70 ℃; prolonged heating above melting point will cause slight decomposition
- Photostability: Slightly light-sensitive, long-term UV irradiation turns deeper yellow
- Compatibility: Compatible with polar organic solvents, weak acid medium; incompatible with strong reducing agents, concentrated strong alkali, strong oxidants
3. Main Application Fields
1. Pharmaceutical Synthetic Intermediate (Core Application)
Key pyridine building block for anti-infective drugs, anti-ulcer agents, central nervous system and kinase inhibitor pharmaceutical APIs
2. Fine Organic Synthesis Raw Material
Precursor for preparing 4-amino/4-alkoxy substituted dimethylpyridine derivatives, heterocyclic compound synthesis
3. Laboratory Organic Research Reagent
Substrate for pyridine N-oxide rearrangement and aromatic nucleophilic substitution reaction experiments
4. Quality Specification Table
| Test Item | Standard Specification |
| CAS Number | 59886-90-7 |
| Molecular Formula | C7H8Cl1N1O1 |
| Appearance | Uniform pale yellow crystal without dark oxidized impurities |
| HPLC Purity | Pharma Intermediate Grade ≥98.0% |
| Melting Point | 82–86 ℃ |
| Water Content (KF) | ≤0.20% |
| Residue on Ignition | ≤0.10% |
| Single Maximum Unknown Impurity | ≤0.10% |
| Heavy Metals (Pb) | ≤10 ppm |
| Packaging | 10g/100g vacuum aluminum foil bag, 25kg light-proof PE lined fiber drum |
| Storage Condition | Hermetically sealed cool dry warehouse below 25 ℃, full light shielding, isolate strong reducing substances |
| Transportation Requirement | Light-sensitive chloropyridine solid powder, moisture-proof sealed packaging |
| Shelf Life | 24 months under nitrogen vacuum sealed storage |
Safety Warning
Low-toxic irritant heterocyclic crystalline powder. Dust irritates eyes, nasal tract and respiratory mucosa; long-term skin contact may cause mild dry itching. All operations must be carried out in ventilated fume hood with dust-proof respirator and nitrile chemical-resistant gloves. Avoid mixing with strong reducing agents to trigger exothermic reduction reaction. Waste liquid neutralized with dilute acid before discharge; solid waste classified as halogen-containing heterocyclic fine chemical hazardous waste disposed by licensed professional institutions.
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