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1,2-Dimethyl-1,4,5,6-tetrahydropyrimidine
1. Basic Information
Name: 1,2-Dimethyl-1,4,5,6-tetrahydropyrimidine
CAS No.: 4271-96-9
Molecular Formula: C6H12N2
Molecular Weight: 112.17
Category: Saturated nitrogen heterocyclic fine chemical intermediate
2. Physical and Chemical Properties
Physical Properties
- Appearance: Colorless transparent liquid
- Odor: Strong amine-like heterocyclic odor
- Solubility: Miscible with methanol, ethanol, acetone, toluene, dichloromethane; soluble in water
- Boiling Range: 148–152 °C
- Refractive Index: 1.462–1.466
- Hygroscopy: Hygroscopic under high humidity
- Aqueous Property: Strongly alkaline aqueous solution due to tertiary amine structure
Chemical Properties
- Molecular Structure: Six-membered tetrahydropyrimidine ring with methyl substituents on N1 and C2 positions
- Alkaline Character: Reacts with inorganic acids and organic acids to form stable ammonium salts
- Electrophilic Substitution: C=C double bond on the ring undergoes addition, halogenation and oxidation reactions
- Thermal Stability: Stable under normal temperature; easy to oxidize and turn yellow under long-term heating
- Photostability: Moderately sensitive to UV light; prolonged illumination accelerates oxidative discoloration
- Compatibility: Miscible with most polar and nonpolar organic solvents; incompatible with strong oxidants, acid substances and halogens
3. Main Application Fields
1. Pharmaceutical Synthetic Intermediate (Core Application)
Key raw material for synthesizing cardiovascular, antibacterial and central nervous system APIs; used to construct saturated pyrimidine drug skeletons via salt formation and addition reactions
2. Catalyst & Organic Synthesis Auxiliary
Amine-based alkaline catalyst for esterification, condensation and polymerization reactions
3. Agrochemical Intermediate
Precursor for nitrogen-containing herbicides and fungicides
4. Quality Specification Table
| Test Item | Standard Specification |
| CAS Number | 4271-96-9 |
| Molecular Formula | C6H12N2 |
| Appearance | Colorless transparent liquid without suspended impurities |
| GC Purity | Synthetic Intermediate Grade ≥99.0% |
| Water Content (KF) | ≤0.20% |
| Color (APHA) | ≤30 |
| Residue on Ignition | ≤0.05% |
| Single Unknown Impurity | ≤0.10% |
| Heavy Metals (Pb) | ≤10 ppm |
| Packaging | Nitrogen-sealed amber coated iron drum / IBC tank |
| Storage Condition | Hermetically sealed cool dark warehouse below 25 °C; isolated from air, acid materials and oxidants |
| Transportation Requirement | Alkaline hygroscopic amine liquid, airtight sealed packaging away from acid cargo |
| Shelf Life | 24 months under nitrogen-filled sealed storage |
Safety Warning
Corrosive alkaline heterocyclic liquid. Vapor and liquid cause severe irritation to eyes, respiratory tract and skin; direct contact may lead to chemical burns. All operations must be carried out in ventilated fume hoods with alkali-resistant gloves and full-face safety goggles. Keep fully airtight storage to avoid absorbing moisture and carbon dioxide in air. Waste liquid needs neutralization treatment before discharge and centralized solvent recovery; classified as hazardous alkaline organic waste for professional licensed disposal.
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